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

C14H16ClN3O — CID 110473486

IUPAC3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCc1c(Cl)cccc1C(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C14H16ClN3O/c1-9-12(5-4-6-13(9)15)14(19)17-10(2)11-7-16-18(3)8-11/h4-8,10H,1-3H3,(H,17,19)
InChIKeyMBRMUIJFOLBTKL-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.87
Rot. Bonds3

About 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide

3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 110473486) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID110473486
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCc1c(Cl)cccc1C(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C14H16ClN3O/c1-9-12(5-4-6-13(9)15)14(19)17-10(2)11-7-16-18(3)8-11/h4-8,10H,1-3H3,(H,17,19)
InChIKeyMBRMUIJFOLBTKL-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
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
1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147163
3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide
CID 129433441
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
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
4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 99717451

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 110473486) is 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide is Cc1c(Cl)cccc1C(=O)NC(C)c1cnn(C)c1.
What is the InChIKey of 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is MBRMUIJFOLBTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-12(5-4-6-13(9)15)14(19)17-10(2)11-7-16-18(3)8-11/h4-8,10H,1-3H3,(H,17,19).
What are the key properties of 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 277.75 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110473486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).