3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide

C13H16N4O2 — CID 81090898

IUPAC3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H16N4O2/c1-7-12(8(2)17-16-7)15-13(18)9-4-10(14)6-11(5-9)19-3/h4-6H,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyCYPSVHVLPCEAPH-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide

3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide (PubChem CID 81090898) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide
PubChem CID81090898
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H16N4O2/c1-7-12(8(2)17-16-7)15-13(18)9-4-10(14)6-11(5-9)19-3/h4-6H,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyCYPSVHVLPCEAPH-UHFFFAOYSA-N
XLogP1.87
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 78984369
3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide
CID 43546454
3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 81090786
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
CID 81093926
2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 61092674
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
3-amino-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 81090250
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 78985107
3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 113286216
5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 81316853
3-amino-N-(2,5-difluorophenyl)-5-methoxybenzamide
CID 78985193

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide (CID 81090898) is 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)Nc2c(C)n[nH]c2C)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide?
The InChIKey is CYPSVHVLPCEAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-12(8(2)17-16-7)15-13(18)9-4-10(14)6-11(5-9)19-3/h4-6H,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide?
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide has a molecular weight of 260.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide is sourced from PubChem (CID 81090898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).