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

C10H9ClN4O — CID 63107036

IUPAC4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H9ClN4O/c11-6-3-1-2-4-8(6)14-10(16)9-7(12)5-13-15-9/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyGPWHAYYQDKAIJL-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.90
Rot. Bonds2

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

4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63107036) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID63107036
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H9ClN4O/c11-6-3-1-2-4-8(6)14-10(16)9-7(12)5-13-15-9/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyGPWHAYYQDKAIJL-UHFFFAOYSA-N
XLogP1.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.90
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-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 63105944
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 63107427
4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63103213
4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 63103575
4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63105942
4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 63107429
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
CID 79768952
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 113381822

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 63107036) is 4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1ccccc1Cl.
What is the InChIKey of 4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GPWHAYYQDKAIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-6-3-1-2-4-8(6)14-10(16)9-7(12)5-13-15-9/h1-5H,12H2,(H,13,15)(H,14,16).
What are the key properties of 4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 1.90, 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-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63107036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).