1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide

C13H16N4O2 — CID 64781320

IUPAC1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCOc1cc(-n2ccc(C(=O)N(C)C)n2)ccc1N
InChIInChI=1S/C13H16N4O2/c1-16(2)13(18)11-6-7-17(15-11)9-4-5-10(14)12(8-9)19-3/h4-8H,14H2,1-3H3
InChIKeySIGFPHKYQRNZGY-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.16
Rot. Bonds3

About 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide

1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64781320) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64781320
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCOc1cc(-n2ccc(C(=O)N(C)C)n2)ccc1N
InChIInChI=1S/C13H16N4O2/c1-16(2)13(18)11-6-7-17(15-11)9-4-5-10(14)12(8-9)19-3/h4-8H,14H2,1-3H3
InChIKeySIGFPHKYQRNZGY-UHFFFAOYSA-N
XLogP1.16
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 115499714
1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 65342316
1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781535
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64780391
1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79827052
1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 80752575
1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 64782821
1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780746
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64782079
1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 103469399
1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 102814437
1-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 82392973

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide (CID 64781320) is 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide is COc1cc(-n2ccc(C(=O)N(C)C)n2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is SIGFPHKYQRNZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16(2)13(18)11-6-7-17(15-11)9-4-5-10(14)12(8-9)19-3/h4-8H,14H2,1-3H3.
What are the key properties of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64781320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).