4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide

C12H15N5O — CID 63357258

IUPAC4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(N)c(NCc2ccn[nH]2)c1
InChIInChI=1S/C12H15N5O/c1-14-12(18)8-2-3-10(13)11(6-8)15-7-9-4-5-16-17-9/h2-6,15H,7,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyYRWIJPNCLCUHQI-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.96
Rot. Bonds4

About 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide

4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide (PubChem CID 63357258) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
PubChem CID63357258
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(N)c(NCc2ccn[nH]2)c1
InChIInChI=1S/C12H15N5O/c1-14-12(18)8-2-3-10(13)11(6-8)15-7-9-4-5-16-17-9/h2-6,15H,7,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyYRWIJPNCLCUHQI-UHFFFAOYSA-N
XLogP0.96
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-nitro-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 82989009
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
CID 63357345
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150888
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 63360539
6-amino-5-(1H-pyrazol-5-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 113307392
4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
CID 113471567
4-amino-3-(1-hydroxybutan-2-ylamino)-N-methylbenzamide
CID 63357122

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide (CID 63357258) is 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide is CNC(=O)c1ccc(N)c(NCc2ccn[nH]2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide?
The InChIKey is YRWIJPNCLCUHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-14-12(18)8-2-3-10(13)11(6-8)15-7-9-4-5-16-17-9/h2-6,15H,7,13H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide?
4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide has a molecular weight of 245.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide is sourced from PubChem (CID 63357258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).