1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid

C89H105F5N18O17 — CID 160713007

IUPAC1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1CC1CCC1.Cc1cc(C(=O)O)nn1CC1CCCC1.Cc1cc(C(=O)O)nn1CC1CCCCC1.Cc1cc(C(=O)O)nn1CC1CCCO1.Cc1cc(C(=O)O)nn1Cc1ccc(F)c(F)c1.Cc1cc(C(=O)O)nn1Cc1ccc(F)cc1F.Cc1cc(C(=O)O)nn1Cc1ccccc1F.Cc1cc(C(=O)O)nn1Cc1ccn(C)n1
InChIInChI=1S/2C12H10F2N2O2.C12H11FN2O2.C12H18N2O2.C11H16N2O2.C10H12N4O2.C10H14N2O3.C10H14N2O2/c1-7-4-11(12(17)18)15-16(7)6-8-2-3-9(13)5-10(8)14;1-7-4-11(12(17)18)15-16(7)6-8-2-3-9(13)10(14)5-8;1-8-6-11(12(16)17)14-15(8)7-9-4-2-3-5-10(9)13;1-9-7-11(12(15)16)13-14(9)8-10-5-3-2-4-6-10;1-8-6-10(11(14)15)12-13(8)7-9-4-2-3-5-9;1-7-5-9(10(15)16)12-14(7)6-8-3-4-13(2)11-8;1-7-5-9(10(13)14)11-12(7)6-8-3-2-4-15-8;1-7-5-9(10(13)14)11-12(7)6-8-3-2-4-8/h2*2-5H,6H2,1H3,(H,17,18);2-6H,7H2,1H3,(H,16,17);7,10H,2-6,8H2,1H3,(H,15,16);6,9H,2-5,7H2,1H3,(H,14,15);3-5H,6H2,1-2H3,(H,15,16);5,8H,2-4,6H2,1H3,(H,13,14);5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeyRSCKPTZCLVXSEP-UHFFFAOYSA-N
MW1793.92 g/mol
LogP14.49
Rot. Bonds24

About 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid

1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid (PubChem CID 160713007) has the molecular formula C89H105F5N18O17 and a molecular weight of 1793.92 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid
PubChem CID160713007
Molecular FormulaC89H105F5N18O17
Molecular Weight1793.92 g/mol
Exact Mass1792.78
IUPAC Name1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1CC1CCC1.Cc1cc(C(=O)O)nn1CC1CCCC1.Cc1cc(C(=O)O)nn1CC1CCCCC1.Cc1cc(C(=O)O)nn1CC1CCCO1.Cc1cc(C(=O)O)nn1Cc1ccc(F)c(F)c1.Cc1cc(C(=O)O)nn1Cc1ccc(F)cc1F.Cc1cc(C(=O)O)nn1Cc1ccccc1F.Cc1cc(C(=O)O)nn1Cc1ccn(C)n1
InChIInChI=1S/2C12H10F2N2O2.C12H11FN2O2.C12H18N2O2.C11H16N2O2.C10H12N4O2.C10H14N2O3.C10H14N2O2/c1-7-4-11(12(17)18)15-16(7)6-8-2-3-9(13)5-10(8)14;1-7-4-11(12(17)18)15-16(7)6-8-2-3-9(13)10(14)5-8;1-8-6-11(12(16)17)14-15(8)7-9-4-2-3-5-10(9)13;1-9-7-11(12(15)16)13-14(9)8-10-5-3-2-4-6-10;1-8-6-10(11(14)15)12-13(8)7-9-4-2-3-5-9;1-7-5-9(10(15)16)12-14(7)6-8-3-4-13(2)11-8;1-7-5-9(10(13)14)11-12(7)6-8-3-2-4-15-8;1-7-5-9(10(13)14)11-12(7)6-8-3-2-4-8/h2*2-5H,6H2,1H3,(H,17,18);2-6H,7H2,1H3,(H,16,17);7,10H,2-6,8H2,1H3,(H,15,16);6,9H,2-5,7H2,1H3,(H,14,15);3-5H,6H2,1-2H3,(H,15,16);5,8H,2-4,6H2,1H3,(H,13,14);5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeyRSCKPTZCLVXSEP-UHFFFAOYSA-N
XLogP14.49
TPSA468.01 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001793.92
LogP ≤ 514.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid (CID 160713007) is 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1CC1CCC1.Cc1cc(C(=O)O)nn1CC1CCCC1.Cc1cc(C(=O)O)nn1CC1CCCCC1.Cc1cc(C(=O)O)nn1CC1CCCO1.Cc1cc(C(=O)O)nn1Cc1ccc(F)c(F)c1.Cc1cc(C(=O)O)nn1Cc1ccc(F)cc1F.Cc1cc(C(=O)O)nn1Cc1ccccc1F.Cc1cc(C(=O)O)nn1Cc1ccn(C)n1.
What is the InChIKey of 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid?
The InChIKey is RSCKPTZCLVXSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10F2N2O2.C12H11FN2O2.C12H18N2O2.C11H16N2O2.C10H12N4O2.C10H14N2O3.C10H14N2O2/c1-7-4-11(12(17)18)15-16(7)6-8-2-3-9(13)5-10(8)14;1-7-4-11(12(17)18)15-16(7)6-8-2-3-9(13)10(14)5-8;1-8-6-11(12(16)17)14-15(8)7-9-4-2-3-5-10(9)13;1-9-7-11(12(15)16)13-14(9)8-10-5-3-2-4-6-10;1-8-6-10(11(14)15)12-13(8)7-9-4-2-3-5-9;1-7-5-9(10(15)16)12-14(7)6-8-3-4-13(2)11-8;1-7-5-9(10(13)14)11-12(7)6-8-3-2-4-15-8;1-7-5-9(10(13)14)11-12(7)6-8-3-2-4-8/h2*2-5H,6H2,1H3,(H,17,18);2-6H,7H2,1H3,(H,16,17);7,10H,2-6,8H2,1H3,(H,15,16);6,9H,2-5,7H2,1H3,(H,14,15);3-5H,6H2,1-2H3,(H,15,16);5,8H,2-4,6H2,1H3,(H,13,14);5,8H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid?
1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid has a molecular weight of 1793.92 g/mol, XLogP of 14.49, 24 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylic acid;1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid;5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylic acid;5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 160713007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).