2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

C15H18ClN3O — CID 86768025

IUPAC2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-10-12(11(2)19(3)18-10)8-9-17-15(20)13-6-4-5-7-14(13)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyUPCSTMAKWUQDHE-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 86768025) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID86768025
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-10-12(11(2)19(3)18-10)8-9-17-15(20)13-6-4-5-7-14(13)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyUPCSTMAKWUQDHE-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 86930029
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 82546172
4-amino-5-chloro-2-methoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119731680
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
2-chloro-N-[2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]ethyl]benzamide
CID 39112466
benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
CID 110717257
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 86930017
3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 115930594
2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99630725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (CID 86768025) is 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is Cc1nn(C)c(C)c1CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is UPCSTMAKWUQDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-12(11(2)19(3)18-10)8-9-17-15(20)13-6-4-5-7-14(13)16/h4-7H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 291.78 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 86768025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).