ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C17H20F3N5O3 — CID 26147727

IUPACethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2
InChIInChI=1S/C17H20F3N5O3/c1-3-28-16(27)14-11-9-24(15(26)12-8-10(2)21-22-12)6-4-13(11)25(23-14)7-5-17(18,19)20/h8H,3-7,9H2,1-2H3,(H,21,22)
InChIKeyKBIWBVIQFMOUHX-UHFFFAOYSA-N
MW399.37 g/mol
LogP2.24
Rot. Bonds5

About ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26147727) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26147727
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC Nameethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2
InChIInChI=1S/C17H20F3N5O3/c1-3-28-16(27)14-11-9-24(15(26)12-8-10(2)21-22-12)6-4-13(11)25(23-14)7-5-17(18,19)20/h8H,3-7,9H2,1-2H3,(H,21,22)
InChIKeyKBIWBVIQFMOUHX-UHFFFAOYSA-N
XLogP2.24
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26227076
N-(2-methoxyethyl)-1-(3-methylbutyl)-5-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228853
1-[5-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 91762983
ethyl 1-(3-methylbutyl)-5-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26140905
2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate
CID 71967866
methyl 5-{[(1-ethyl-3-methyl-1H-pyrazol-4-yl)amino]carbonyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 72925980
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72928308
N-[(1,3-Dimethyl-1H-pyrazol-5-YL)methyl]-1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-C]pyrazole-3-carboxamide
CID 132428047
N-Ethyl-1-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-YL)methyl]-1H,4H,6H,7H-pyrano[4,3-C]pyrazole-3-carboxamide
CID 132428342
ethyl 5-[(3-isobutyl-1H-pyrazol-5-yl)carbonyl]-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26135171
ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26135622
ethyl 5-{[3-(2-fluorophenyl)-1H-pyrazol-5-yl]carbonyl}-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26139333

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26147727) is ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2.
What is the InChIKey of ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is KBIWBVIQFMOUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O3/c1-3-28-16(27)14-11-9-24(15(26)12-8-10(2)21-22-12)6-4-13(11)25(23-14)7-5-17(18,19)20/h8H,3-7,9H2,1-2H3,(H,21,22).
What are the key properties of ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 399.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26147727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).