5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide

C11H11ClN4O — CID 110463822

IUPAC5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide
SMILESCc1cc(N)n(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4O/c1-7-6-10(13)16(15-7)11(17)14-9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H,14,17)
InChIKeyZCFWLWVKTKXBCX-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.51
Rot. Bonds1

About 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide

5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide (PubChem CID 110463822) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide
PubChem CID110463822
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide
SMILESCc1cc(N)n(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4O/c1-7-6-10(13)16(15-7)11(17)14-9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H,14,17)
InChIKeyZCFWLWVKTKXBCX-UHFFFAOYSA-N
XLogP2.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-3-methylpyrazole-1-carboxylate
CID 110459451
3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide
CID 5309448
4-chloro-N-[1-(3,5-dimethylpyrazol-1-yl)-2,2-diphenylethenyl]aniline
CID 56695309
4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide
CID 2745789
5-amino-N,N,3-trimethylpyrazole-1-carboxamide
CID 18339347
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone
CID 110462579
2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862033
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
(5-amino-3-methylpyrazol-1-yl)-(2-aminophenyl)methanone
CID 110465642
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805280

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide (CID 110463822) is 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide is Cc1cc(N)n(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide?
The InChIKey is ZCFWLWVKTKXBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-6-10(13)16(15-7)11(17)14-9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H,14,17).
What are the key properties of 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide?
5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide is sourced from PubChem (CID 110463822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).