3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide

C12H14N4O2 — CID 61139806

IUPAC3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cn[nH]c2)cc1N
InChIInChI=1S/C12H14N4O2/c1-18-11-3-2-9(4-10(11)13)12(17)14-5-8-6-15-16-7-8/h2-4,6-7H,5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyMDXYFQSOUIBVGQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.93
Rot. Bonds4

About 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide

3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 61139806) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID61139806
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cn[nH]c2)cc1N
InChIInChI=1S/C12H14N4O2/c1-18-11-3-2-9(4-10(11)13)12(17)14-5-8-6-15-16-7-8/h2-4,6-7H,5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyMDXYFQSOUIBVGQ-UHFFFAOYSA-N
XLogP0.93
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.93
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-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936
2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139995
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830367

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 61139806) is 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide is COc1ccc(C(=O)NCc2cn[nH]c2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is MDXYFQSOUIBVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-11-3-2-9(4-10(11)13)12(17)14-5-8-6-15-16-7-8/h2-4,6-7H,5,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 246.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 61139806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).