N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide

C14H17N3O — CID 4865656

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide
SMILESCCn1ccc(CNC(=O)c2ccccc2C)n1
InChIInChI=1S/C14H17N3O/c1-3-17-9-8-12(16-17)10-15-14(18)13-7-5-4-6-11(13)2/h4-9H,3,10H2,1-2H3,(H,15,18)
InChIKeyLCKCCWXUHNYRCZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.14
Rot. Bonds4

About N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide

N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide (PubChem CID 4865656) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide
PubChem CID4865656
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide
SMILESCCn1ccc(CNC(=O)c2ccccc2C)n1
InChIInChI=1S/C14H17N3O/c1-3-17-9-8-12(16-17)10-15-14(18)13-7-5-4-6-11(13)2/h4-9H,3,10H2,1-2H3,(H,15,18)
InChIKeyLCKCCWXUHNYRCZ-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
N-[(1-ethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19330999
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
2-[[(1-ethylpyrazol-3-yl)methylamino]methyl]benzoic acid;hydrochloride
CID 126966178
N-[(1-ethylpyrazol-3-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19581507
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513078
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19331115
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide (CID 4865656) is N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide is CCn1ccc(CNC(=O)c2ccccc2C)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide?
The InChIKey is LCKCCWXUHNYRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-17-9-8-12(16-17)10-15-14(18)13-7-5-4-6-11(13)2/h4-9H,3,10H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide?
N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 4865656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).