1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid

C36H32F2N8O3 — CID 158885430

IUPAC1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid
SMILESNc1ccn(-c2ccncc2F)n1.O=C(Nc1ccn(-c2ccncc2F)n1)C1(c2ccccc2)CC1.O=C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H15FN4O.C10H10O2.C8H7FN4/c19-14-12-20-10-6-15(14)23-11-7-16(22-23)21-17(24)18(8-9-18)13-4-2-1-3-5-13;11-9(12)10(6-7-10)8-4-2-1-3-5-8;9-6-5-11-3-1-7(6)13-4-2-8(10)12-13/h1-7,10-12H,8-9H2,(H,21,22,24);1-5H,6-7H2,(H,11,12);1-5H,(H2,10,12)
InChIKeyJDOLAEPAMPSGKT-UHFFFAOYSA-N
MW662.70 g/mol
LogP5.87
Rot. Bonds7

About 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid

1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid (PubChem CID 158885430) has the molecular formula C36H32F2N8O3 and a molecular weight of 662.70 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid
PubChem CID158885430
Molecular FormulaC36H32F2N8O3
Molecular Weight662.70 g/mol
Exact Mass662.26
IUPAC Name1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid
SMILESNc1ccn(-c2ccncc2F)n1.O=C(Nc1ccn(-c2ccncc2F)n1)C1(c2ccccc2)CC1.O=C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H15FN4O.C10H10O2.C8H7FN4/c19-14-12-20-10-6-15(14)23-11-7-16(22-23)21-17(24)18(8-9-18)13-4-2-1-3-5-13;11-9(12)10(6-7-10)8-4-2-1-3-5-8;9-6-5-11-3-1-7(6)13-4-2-8(10)12-13/h1-7,10-12H,8-9H2,(H,21,22,24);1-5H,6-7H2,(H,11,12);1-5H,(H2,10,12)
InChIKeyJDOLAEPAMPSGKT-UHFFFAOYSA-N
XLogP5.87
TPSA153.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.70
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Elovl1-IN-1
CID 134587945
US10030027, Example 114A
CID 129242650
US10030027, Example 148A
CID 129242994
US11365185, Example 13B
CID 137534625
US11365185, Example 21B
CID 137534695
US11365185, Example 4B
CID 137534730
US11365185, Example 12B
CID 137546536
2-[4-[(5S)-4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]acetic acid
CID 129243030
2-[4-[(5R)-4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]acetic acid
CID 129243153
2-[4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-3,3-dimethylbutanoic acid
CID 129243192
(2R)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 134596075
1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596194

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid (CID 158885430) is 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid is Nc1ccn(-c2ccncc2F)n1.O=C(Nc1ccn(-c2ccncc2F)n1)C1(c2ccccc2)CC1.O=C(O)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid?
The InChIKey is JDOLAEPAMPSGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O.C10H10O2.C8H7FN4/c19-14-12-20-10-6-15(14)23-11-7-16(22-23)21-17(24)18(8-9-18)13-4-2-1-3-5-13;11-9(12)10(6-7-10)8-4-2-1-3-5-8;9-6-5-11-3-1-7(6)13-4-2-8(10)12-13/h1-7,10-12H,8-9H2,(H,21,22,24);1-5H,6-7H2,(H,11,12);1-5H,(H2,10,12).
What are the key properties of 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid?
1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid has a molecular weight of 662.70 g/mol, XLogP of 5.87, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)pyrazol-3-amine;N-[1-(3-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;1-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 158885430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).