5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide

C16H14ClN5O — CID 122640442

IUPAC5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C16H14ClN5O/c1-10-4-2-3-5-13(10)22-15(18)12(9-20-22)16(23)21-14-7-6-11(17)8-19-14/h2-9H,18H2,1H3,(H,19,21,23)
InChIKeyXTOYTANUVQENAB-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.06
Rot. Bonds3

About 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide

5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 122640442) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID122640442
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C16H14ClN5O/c1-10-4-2-3-5-13(10)22-15(18)12(9-20-22)16(23)21-14-7-6-11(17)8-19-14/h2-9H,18H2,1H3,(H,19,21,23)
InChIKeyXTOYTANUVQENAB-UHFFFAOYSA-N
XLogP3.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862034
5-amino-N-(4-chloro-2-phenylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862149
5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862144
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
5-[2-[5-amino-4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
CID 122640509
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide
CID 140861984
5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 154838876
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 122640425
4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide
CID 70069811
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 122640442) is 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cn2)c1N.
What is the InChIKey of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is XTOYTANUVQENAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-10-4-2-3-5-13(10)22-15(18)12(9-20-22)16(23)21-14-7-6-11(17)8-19-14/h2-9H,18H2,1H3,(H,19,21,23).
What are the key properties of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 122640442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).