4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide

C12H12ClN3O — CID 110731802

IUPAC4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ccn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)12(17)14-7-5-11-6-8-15-16-11/h1-4,6,8H,5,7H2,(H,14,17)(H,15,16)
InChIKeyPMQSFVGHAMNSKZ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.04
Rot. Bonds4

About 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide

4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide (PubChem CID 110731802) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
PubChem CID110731802
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ccn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)12(17)14-7-5-11-6-8-15-16-11/h1-4,6,8H,5,7H2,(H,14,17)(H,15,16)
InChIKeyPMQSFVGHAMNSKZ-UHFFFAOYSA-N
XLogP2.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731764
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666505
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
CID 110731759
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
2-[(4-chlorobenzoyl)amino]ethylazanium chloride
CID 43834591
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
4-[4-(aminomethyl)-2-methoxyphenoxy]-3-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide;hydrochloride
CID 154921457
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide (CID 110731802) is 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide is O=C(NCCc1ccn[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide?
The InChIKey is PMQSFVGHAMNSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-3-1-9(2-4-10)12(17)14-7-5-11-6-8-15-16-11/h1-4,6,8H,5,7H2,(H,14,17)(H,15,16).
What are the key properties of 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide?
4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide has a molecular weight of 249.70 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110731802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).