4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide

C10H8ClFN4O — CID 55177446

IUPAC4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H8ClFN4O/c11-6-2-1-5(3-7(6)12)15-10(17)9-8(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyKIDAEKQXBRKEJN-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.04
Rot. Bonds2

About 4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 55177446) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID55177446
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H8ClFN4O/c11-6-2-1-5(3-7(6)12)15-10(17)9-8(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyKIDAEKQXBRKEJN-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

4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 55178983
4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63106114
4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 63107429
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61468161
4-amino-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63104822
4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63105942
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
CID 79768952
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide
CID 61042452

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 55177446) is 4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KIDAEKQXBRKEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-6-2-1-5(3-7(6)12)15-10(17)9-8(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55177446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).