2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide

C13H14ClN3O — CID 110472970

IUPAC2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1cnn(C)c1
InChIInChI=1S/C13H14ClN3O/c1-9(10-7-15-17(2)8-10)16-13(18)11-5-3-4-6-12(11)14/h3-9H,1-2H3,(H,16,18)
InChIKeyIBTGEOOTIQVVCF-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.56
Rot. Bonds3

About 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide

2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 110472970) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID110472970
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1cnn(C)c1
InChIInChI=1S/C13H14ClN3O/c1-9(10-7-15-17(2)8-10)16-13(18)11-5-3-4-6-12(11)14/h3-9H,1-2H3,(H,16,18)
InChIKeyIBTGEOOTIQVVCF-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473486
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 45147156
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147163
3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473949
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 35276451
5-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 99974698
5-hydroxy-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 86285442
N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 45147147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 110472970) is 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1Cl)c1cnn(C)c1.
What is the InChIKey of 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is IBTGEOOTIQVVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9(10-7-15-17(2)8-10)16-13(18)11-5-3-4-6-12(11)14/h3-9H,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 263.73 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110472970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).