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

C15H18ClN3O — CID 110442056

IUPAC3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-10-14(11(2)19(3)18-10)7-8-17-15(20)12-5-4-6-13(16)9-12/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyGWERQBROTRMHLH-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.66
Rot. Bonds4

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

3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 110442056) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID110442056
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-10-14(11(2)19(3)18-10)7-8-17-15(20)12-5-4-6-13(16)9-12/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyGWERQBROTRMHLH-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

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Related Compounds

3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112530116
3-chloro-N-[N-(4-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]benzamide
CID 46294611
2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 86930029
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 112824282
5-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86930030

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (CID 110442056) is 3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is Cc1nn(C)c(C)c1CCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is GWERQBROTRMHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-14(11(2)19(3)18-10)7-8-17-15(20)12-5-4-6-13(16)9-12/h4-6,9H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
3-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 3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110442056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).