N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide

C14H16ClN3O — CID 19322664

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1ccccc1C
InChIInChI=1S/C14H16ClN3O/c1-3-18-13(12(15)8-17-18)9-16-14(19)11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyUSBKVHFOALOTOP-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.79
Rot. Bonds4

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide (PubChem CID 19322664) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
PubChem CID19322664
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1ccccc1C
InChIInChI=1S/C14H16ClN3O/c1-3-18-13(12(15)8-17-18)9-16-14(19)11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyUSBKVHFOALOTOP-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-nitrobenzamide
CID 19296653
2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
CID 19296874
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
CID 19322995
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19296706
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide
CID 19296682
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-nitrobenzamide
CID 19322650
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19296886
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 19296867
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
CID 19322972
2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide
CID 19322901
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296849
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19296883

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide (CID 19322664) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide is CCn1ncc(Cl)c1CNC(=O)c1ccccc1C.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide?
The InChIKey is USBKVHFOALOTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-18-13(12(15)8-17-18)9-16-14(19)11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,16,19).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide has a molecular weight of 277.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 19322664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).