5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide

C9H8FN5O — CID 89464494

IUPAC5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1ccnc(F)c1
InChIInChI=1S/C9H8FN5O/c10-7-3-5(1-2-12-7)14-9-6(8(11)16)4-13-15-9/h1-4H,(H2,11,16)(H2,12,13,14,15)
InChIKeyXRWOLMSTFDQZIG-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.79
Rot. Bonds3

About 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide

5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide (PubChem CID 89464494) has the molecular formula C9H8FN5O and a molecular weight of 221.20 g/mol. Its IUPAC name is 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide
PubChem CID89464494
Molecular FormulaC9H8FN5O
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC Name5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1ccnc(F)c1
InChIInChI=1S/C9H8FN5O/c10-7-3-5(1-2-12-7)14-9-6(8(11)16)4-13-15-9/h1-4H,(H2,11,16)(H2,12,13,14,15)
InChIKeyXRWOLMSTFDQZIG-UHFFFAOYSA-N
XLogP0.79
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-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

5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide
CID 123557222
5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide
CID 89473446
N-[1-(cyanomethyl)-4-(2-fluoroanilino)cyclohexyl]-5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 89462001
5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride
CID 175742670
1-(2-cyano-1-cyclopropylethyl)-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 71538223
5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
CID 11492993
5-amino-3-[(4-carbamoyl-1H-pyrazol-5-yl)amino]-1H-pyrazole-4-carboxamide
CID 148913270
1-[(3R,4R)-4-cyano-1,1-dihydroxythiolan-3-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 90343770
5-methylsulfanyl-1H-pyrazole-4-carboxamide
CID 91359126
5-[(6-methoxy-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 168850050
5-[(8-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
CID 11694919
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea
CID 79500492

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide (CID 89464494) is 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1Nc1ccnc(F)c1.
What is the InChIKey of 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
The InChIKey is XRWOLMSTFDQZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O/c10-7-3-5(1-2-12-7)14-9-6(8(11)16)4-13-15-9/h1-4H,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide has a molecular weight of 221.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 89464494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).