2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide

C12H14N4O — CID 61375925

IUPAC2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCNc1ccccc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H14N4O/c1-13-11-5-3-2-4-10(11)12(17)14-6-9-7-15-16-8-9/h2-5,7-8,13H,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyQRZCPINXAZDQDT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.38
Rot. Bonds4

About 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide

2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 61375925) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID61375925
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCNc1ccccc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H14N4O/c1-13-11-5-3-2-4-10(11)12(17)14-6-9-7-15-16-8-9/h2-5,7-8,13H,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyQRZCPINXAZDQDT-UHFFFAOYSA-N
XLogP1.38
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
CID 63375555
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514
3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81047299
3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 115549529
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
N-[[3-(methoxymethyl)phenyl]methyl]-2-(methylamino)benzamide
CID 61376120
1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
CID 106773855

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 61375925) is 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide is CNc1ccccc1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is QRZCPINXAZDQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-13-11-5-3-2-4-10(11)12(17)14-6-9-7-15-16-8-9/h2-5,7-8,13H,6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 61375925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).