ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid

C128H116F40N24O20 — CID 159255670

IUPACethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid
SMILESCC(F)(c1c(C(=O)O)cnn1-c1ccccc1)C(F)(F)F.CC(F)(c1c(C(=O)O)cnn1-c1ccccn1)C(F)(F)F.CC(F)(c1nn(-c2ccccc2)cc1C(=O)O)C(F)(F)F.CC(F)(c1nn(-c2ccccn2)cc1C(=O)O)C(F)(F)F.CCOC(=O)c1cn(-c2ccccc2)nc1C(C)(F)C(F)(F)F.CCOC(=O)c1cn(-c2ccccn2)nc1C(C)(F)C(F)(F)F.CCOC(=O)c1cn(C)nc1C(C)(F)C(F)(F)F.CCOC(=O)c1cnn(-c2ccccc2)c1C(C)(F)C(F)(F)F.CCOC(=O)c1cnn(-c2ccccn2)c1C(C)(F)C(F)(F)F.CCOC(=O)c1cnn(C)c1C(C)(F)C(F)(F)F
InChIInChI=1S/2C15H14F4N2O2.2C14H13F4N3O2.2C13H10F4N2O2.2C12H9F4N3O2.2C10H12F4N2O2/c1-3-23-13(22)11-9-21(10-7-5-4-6-8-10)20-12(11)14(2,16)15(17,18)19;1-3-23-13(22)11-9-20-21(10-7-5-4-6-8-10)12(11)14(2,16)15(17,18)19;1-3-23-12(22)9-8-21(10-6-4-5-7-19-10)20-11(9)13(2,15)14(16,17)18;1-3-23-12(22)9-8-20-21(10-6-4-5-7-19-10)11(9)13(2,15)14(16,17)18;1-12(14,13(15,16)17)10-9(11(20)21)7-19(18-10)8-5-3-2-4-6-8;1-12(14,13(15,16)17)10-9(11(20)21)7-18-19(10)8-5-3-2-4-6-8;1-11(13,12(14,15)16)9-7(10(20)21)6-19(18-9)8-4-2-3-5-17-8;1-11(13,12(14,15)16)9-7(10(20)21)6-18-19(9)8-4-2-3-5-17-8;1-4-18-8(17)6-5-16(3)15-7(6)9(2,11)10(12,13)14;1-4-18-8(17)6-5-15-16(3)7(6)9(2,11)10(12,13)14/h2*4-9H,3H2,1-2H3;2*4-8H,3H2,1-2H3;2*2-7H,1H3,(H,20,21);2*2-6H,1H3,(H,20,21);2*5H,4H2,1-3H3
InChIKeyKVWBSQSXHPFHJH-UHFFFAOYSA-N
MW3070.40 g/mol
LogP30.72
Rot. Bonds34

About ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid

ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid (PubChem CID 159255670) has the molecular formula C128H116F40N24O20 and a molecular weight of 3070.40 g/mol. Its IUPAC name is ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Nameethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid
PubChem CID159255670
Molecular FormulaC128H116F40N24O20
Molecular Weight3070.40 g/mol
Exact Mass3068.82
IUPAC Nameethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid
SMILESCC(F)(c1c(C(=O)O)cnn1-c1ccccc1)C(F)(F)F.CC(F)(c1c(C(=O)O)cnn1-c1ccccn1)C(F)(F)F.CC(F)(c1nn(-c2ccccc2)cc1C(=O)O)C(F)(F)F.CC(F)(c1nn(-c2ccccn2)cc1C(=O)O)C(F)(F)F.CCOC(=O)c1cn(-c2ccccc2)nc1C(C)(F)C(F)(F)F.CCOC(=O)c1cn(-c2ccccn2)nc1C(C)(F)C(F)(F)F.CCOC(=O)c1cn(C)nc1C(C)(F)C(F)(F)F.CCOC(=O)c1cnn(-c2ccccc2)c1C(C)(F)C(F)(F)F.CCOC(=O)c1cnn(-c2ccccn2)c1C(C)(F)C(F)(F)F.CCOC(=O)c1cnn(C)c1C(C)(F)C(F)(F)F
InChIInChI=1S/2C15H14F4N2O2.2C14H13F4N3O2.2C13H10F4N2O2.2C12H9F4N3O2.2C10H12F4N2O2/c1-3-23-13(22)11-9-21(10-7-5-4-6-8-10)20-12(11)14(2,16)15(17,18)19;1-3-23-13(22)11-9-20-21(10-7-5-4-6-8-10)12(11)14(2,16)15(17,18)19;1-3-23-12(22)9-8-21(10-6-4-5-7-19-10)20-11(9)13(2,15)14(16,17)18;1-3-23-12(22)9-8-20-21(10-6-4-5-7-19-10)11(9)13(2,15)14(16,17)18;1-12(14,13(15,16)17)10-9(11(20)21)7-19(18-10)8-5-3-2-4-6-8;1-12(14,13(15,16)17)10-9(11(20)21)7-18-19(10)8-5-3-2-4-6-8;1-11(13,12(14,15)16)9-7(10(20)21)6-19(18-9)8-4-2-3-5-17-8;1-11(13,12(14,15)16)9-7(10(20)21)6-18-19(9)8-4-2-3-5-17-8;1-4-18-8(17)6-5-16(3)15-7(6)9(2,11)10(12,13)14;1-4-18-8(17)6-5-15-16(3)7(6)9(2,11)10(12,13)14/h2*4-9H,3H2,1-2H3;2*4-8H,3H2,1-2H3;2*2-7H,1H3,(H,20,21);2*2-6H,1H3,(H,20,21);2*5H,4H2,1-3H3
InChIKeyKVWBSQSXHPFHJH-UHFFFAOYSA-N
XLogP30.72
TPSA536.76 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds34
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003070.40
LogP ≤ 530.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid (CID 159255670) is ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid is CC(F)(c1c(C(=O)O)cnn1-c1ccccc1)C(F)(F)F.CC(F)(c1c(C(=O)O)cnn1-c1ccccn1)C(F)(F)F.CC(F)(c1nn(-c2ccccc2)cc1C(=O)O)C(F)(F)F.CC(F)(c1nn(-c2ccccn2)cc1C(=O)O)C(F)(F)F.CCOC(=O)c1cn(-c2ccccc2)nc1C(C)(F)C(F)(F)F.CCOC(=O)c1cn(-c2ccccn2)nc1C(C)(F)C(F)(F)F.CCOC(=O)c1cn(C)nc1C(C)(F)C(F)(F)F.CCOC(=O)c1cnn(-c2ccccc2)c1C(C)(F)C(F)(F)F.CCOC(=O)c1cnn(-c2ccccn2)c1C(C)(F)C(F)(F)F.CCOC(=O)c1cnn(C)c1C(C)(F)C(F)(F)F.
What is the InChIKey of ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is KVWBSQSXHPFHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14F4N2O2.2C14H13F4N3O2.2C13H10F4N2O2.2C12H9F4N3O2.2C10H12F4N2O2/c1-3-23-13(22)11-9-21(10-7-5-4-6-8-10)20-12(11)14(2,16)15(17,18)19;1-3-23-13(22)11-9-20-21(10-7-5-4-6-8-10)12(11)14(2,16)15(17,18)19;1-3-23-12(22)9-8-21(10-6-4-5-7-19-10)20-11(9)13(2,15)14(16,17)18;1-3-23-12(22)9-8-20-21(10-6-4-5-7-19-10)11(9)13(2,15)14(16,17)18;1-12(14,13(15,16)17)10-9(11(20)21)7-19(18-10)8-5-3-2-4-6-8;1-12(14,13(15,16)17)10-9(11(20)21)7-18-19(10)8-5-3-2-4-6-8;1-11(13,12(14,15)16)9-7(10(20)21)6-19(18-9)8-4-2-3-5-17-8;1-11(13,12(14,15)16)9-7(10(20)21)6-18-19(9)8-4-2-3-5-17-8;1-4-18-8(17)6-5-16(3)15-7(6)9(2,11)10(12,13)14;1-4-18-8(17)6-5-15-16(3)7(6)9(2,11)10(12,13)14/h2*4-9H,3H2,1-2H3;2*4-8H,3H2,1-2H3;2*2-7H,1H3,(H,20,21);2*2-6H,1H3,(H,20,21);2*5H,4H2,1-3H3.
What are the key properties of ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid?
ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 3070.40 g/mol, XLogP of 30.72, 34 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-methyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;ethyl 1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylate;1-phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-pyridin-2-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 159255670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).