4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide

C10H8ClFN4O — CID 63105568

IUPAC4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C10H8ClFN4O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyZJZWYASZGOPFMY-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.04
Rot. Bonds2

About 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63105568) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID63105568
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C10H8ClFN4O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyZJZWYASZGOPFMY-UHFFFAOYSA-N
XLogP2.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenyl-1H-pyrazole-3-carboxamide
CID 680935
4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864077
N-(2-Chlorophenyl)-1H-pyrazole-3-carboxamide
CID 668390
N-(4-fluorophenyl)-4-(2-hydroxyacetamido)-1H-pyrazole-3-carboxamide
CID 24971315
Pyrazole diamide, 32
CID 24971323
4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 122185518
N-(2-Chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 739815
N-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 3495695
4-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659602
5-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659603
N-(2-Chloro-4-fluorophenyl)-4-fluoropyrazole-3-carboxamide
CID 16659607
N-(2-Chloro-4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 16659761

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 63105568) is 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZJZWYASZGOPFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63105568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).