(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide

C16H21N3O — CID 92708194

IUPAC(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccn([C@H](C)CC(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H21N3O/c1-11-5-6-15(9-12(11)2)17-16(20)10-14(4)19-8-7-13(3)18-19/h5-9,14H,10H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeySEDRHFGEGRWXPZ-CQSZACIVSA-N
MW271.36 g/mol
LogP3.40
Rot. Bonds4

About (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide

(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 92708194) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID92708194
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccn([C@H](C)CC(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H21N3O/c1-11-5-6-15(9-12(11)2)17-16(20)10-14(4)19-8-7-13(3)18-19/h5-9,14H,10H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeySEDRHFGEGRWXPZ-CQSZACIVSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178
(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708151
(3S)-N-(3,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708025
(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708150
(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92708147
N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339700
3-cyano-N-(3,4-dimethylphenyl)butanamide
CID 82113806
N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339644
(3S)-N-(4-bromo-3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708037
(3R)-N-(3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708082
N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244448
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide (CID 92708194) is (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide is Cc1ccn([C@H](C)CC(=O)Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is SEDRHFGEGRWXPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-5-6-15(9-12(11)2)17-16(20)10-14(4)19-8-7-13(3)18-19/h5-9,14H,10H2,1-4H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 271.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 92708194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).