(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide

C16H20ClN3O — CID 92693192

IUPAC(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n([C@H](C)CC(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN3O/c1-11-8-12(2)20(19-11)13(3)9-16(21)18-10-14-6-4-5-7-15(14)17/h4-8,13H,9-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyROZYEZRJDBHGMN-CYBMUJFWSA-N
MW305.81 g/mol
LogP3.42
Rot. Bonds5

About (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide

(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 92693192) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID92693192
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n([C@H](C)CC(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN3O/c1-11-8-12(2)20(19-11)13(3)9-16(21)18-10-14-6-4-5-7-15(14)17/h4-8,13H,9-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyROZYEZRJDBHGMN-CYBMUJFWSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 92693207
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 92693235
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110851373
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
CID 119812835
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92708113
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-2-methylbutanoic acid
CID 119199177
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]acetic acid
CID 119351659
3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 130652830
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-3-methylbutanoic acid
CID 119169990

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide (CID 92693192) is (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1cc(C)n([C@H](C)CC(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is ROZYEZRJDBHGMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-8-12(2)20(19-11)13(3)9-16(21)18-10-14-6-4-5-7-15(14)17/h4-8,13H,9-10H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide?
(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 305.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 92693192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).