N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide

C14H16ClN3O — CID 46339700

IUPACN-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccn(C(C)CC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-10-7-8-18(17-10)11(2)9-14(19)16-13-6-4-3-5-12(13)15/h3-8,11H,9H2,1-2H3,(H,16,19)
InChIKeyUGECMDGHDUNLJL-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.43
Rot. Bonds4

About N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide

N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 46339700) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID46339700
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccn(C(C)CC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-10-7-8-18(17-10)11(2)9-14(19)16-13-6-4-3-5-12(13)15/h3-8,11H,9H2,1-2H3,(H,16,19)
InChIKeyUGECMDGHDUNLJL-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708194
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178
N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339644
N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide
CID 917602
(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708151
(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708150
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693215
5-(2-chloroanilino)-2-ethyl-3-methyl-5-oxopentanoic acid
CID 3152083
(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92707983
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(2-chlorophenyl)-2-[(4-hydroxy-2-methylbutyl)amino]acetamide
CID 66089065

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide (CID 46339700) is N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide is Cc1ccn(C(C)CC(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is UGECMDGHDUNLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-7-8-18(17-10)11(2)9-14(19)16-13-6-4-3-5-12(13)15/h3-8,11H,9H2,1-2H3,(H,16,19).
What are the key properties of N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide?
N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 277.75 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 46339700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).