4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide

C12H13N5O2 — CID 65355760

IUPAC4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13N5O2/c1-17-10(9(13)6-15-17)12(19)16-8-4-2-7(3-5-8)11(14)18/h2-6H,13H2,1H3,(H2,14,18)(H,16,19)
InChIKeyWJQUEHXUHVVCLF-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.35
Rot. Bonds3

About 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 65355760) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID65355760
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13N5O2/c1-17-10(9(13)6-15-17)12(19)16-8-4-2-7(3-5-8)11(14)18/h2-6H,13H2,1H3,(H2,14,18)(H,16,19)
InChIKeyWJQUEHXUHVVCLF-UHFFFAOYSA-N
XLogP0.35
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[4-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65355685
4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide
CID 65356183
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 115375767
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355536
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
CID 65360004
4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359651
N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide
CID 65357059
ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 973643

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide (CID 65355760) is 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is WJQUEHXUHVVCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-17-10(9(13)6-15-17)12(19)16-8-4-2-7(3-5-8)11(14)18/h2-6H,13H2,1H3,(H2,14,18)(H,16,19).
What are the key properties of 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65355760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).