4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C14H12FN5O — CID 82012764

IUPAC4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H12FN5O/c15-9-3-4-10(8(5-9)6-16)18-14(21)13-11(17)12(19-20-13)7-1-2-7/h3-5,7H,1-2,17H2,(H,18,21)(H,19,20)
InChIKeyMPFOTUCKOPWYQV-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.13
Rot. Bonds3

About 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 82012764) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID82012764
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H12FN5O/c15-9-3-4-10(8(5-9)6-16)18-14(21)13-11(17)12(19-20-13)7-1-2-7/h3-5,7H,1-2,17H2,(H,18,21)(H,19,20)
InChIKeyMPFOTUCKOPWYQV-UHFFFAOYSA-N
XLogP2.13
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide 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

4-amino-5-cyclopropyl-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62077288
4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077618
4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077620
4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62075479
4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
CID 62075638
3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39039205
4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
CID 62077284
4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 65467132
N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016209
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 82702489
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 82012764) is 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is N#Cc1cc(F)ccc1NC(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is MPFOTUCKOPWYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c15-9-3-4-10(8(5-9)6-16)18-14(21)13-11(17)12(19-20-13)7-1-2-7/h3-5,7H,1-2,17H2,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 82012764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).