(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide

C14H17N3O — CID 92708012

IUPAC(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide
SMILESCc1ccccc1NC(=O)C[C@@H](C)n1cccn1
InChIInChI=1S/C14H17N3O/c1-11-6-3-4-7-13(11)16-14(18)10-12(2)17-9-5-8-15-17/h3-9,12H,10H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyDHQZBHCIMGZDOD-GFCCVEGCSA-N
MW243.31 g/mol
LogP2.78
Rot. Bonds4

About (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide

(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide (PubChem CID 92708012) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide
PubChem CID92708012
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide
SMILESCc1ccccc1NC(=O)C[C@@H](C)n1cccn1
InChIInChI=1S/C14H17N3O/c1-11-6-3-4-7-13(11)16-14(18)10-12(2)17-9-5-8-15-17/h3-9,12H,10H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyDHQZBHCIMGZDOD-GFCCVEGCSA-N
XLogP2.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92707983
(3R)-N-(2,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708020
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
(3S)-N-(3,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708025
(3S)-N-(3,5-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708031
(3R)-N-(3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708082
(3S)-N-(4-bromo-3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708037
(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
CID 92707965
(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide
CID 92708090
(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
CID 92708028
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339700

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide (CID 92708012) is (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide is Cc1ccccc1NC(=O)C[C@@H](C)n1cccn1.
What is the InChIKey of (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide?
The InChIKey is DHQZBHCIMGZDOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-6-3-4-7-13(11)16-14(18)10-12(2)17-9-5-8-15-17/h3-9,12H,10H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide?
(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 92708012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).