(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide

C15H18ClN3O — CID 25438052

IUPAC(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
SMILESCC(C)[C@@H](C(=O)Nc1ccn(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-10(2)14(11-4-6-12(16)7-5-11)15(20)17-13-8-9-19(3)18-13/h4-10,14H,1-3H3,(H,17,18,20)/t14-/m1/s1
InChIKeyCUNMJSGSACEXAQ-CQSZACIVSA-N
MW291.78 g/mol
LogP3.45
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide

(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide (PubChem CID 25438052) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
PubChem CID25438052
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
SMILESCC(C)[C@@H](C(=O)Nc1ccn(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-10(2)14(11-4-6-12(16)7-5-11)15(20)17-13-8-9-19(3)18-13/h4-10,14H,1-3H3,(H,17,18,20)/t14-/m1/s1
InChIKeyCUNMJSGSACEXAQ-CQSZACIVSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589089
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 134596218
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134596221
3-(4-chlorophenyl)-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136325407
N-(1-benzyl-1H-pyrazol-3-yl)acetamide
CID 12572469
4-chloro-N-(1-phenylpyrazol-3-yl)benzamide
CID 810450
4-chloro-N-[1-(2-cyanoethyl)pyrazol-3-yl]benzamide
CID 2334898
N-(1-benzyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 6458316

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide (CID 25438052) is (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide is CC(C)[C@@H](C(=O)Nc1ccn(C)n1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide?
The InChIKey is CUNMJSGSACEXAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(2)14(11-4-6-12(16)7-5-11)15(20)17-13-8-9-19(3)18-13/h4-10,14H,1-3H3,(H,17,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide?
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide has a molecular weight of 291.78 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide is sourced from PubChem (CID 25438052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).