(3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide

C17H22ClN3O2 — CID 99786376

IUPAC(3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide
SMILESCOc1ccc(N(C)C(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C17H22ClN3O2/c1-10(17-11(2)19-20-12(17)3)8-16(22)21(4)13-6-7-15(23-5)14(18)9-13/h6-7,9-10H,8H2,1-5H3,(H,19,20)/t10-/m1/s1
InChIKeyXOTCEAXLMXHADM-SNVBAGLBSA-N
MW335.84 g/mol
LogP3.85
Rot. Bonds5

About (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide

(3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide (PubChem CID 99786376) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide
PubChem CID99786376
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name(3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide
SMILESCOc1ccc(N(C)C(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C17H22ClN3O2/c1-10(17-11(2)19-20-12(17)3)8-16(22)21(4)13-6-7-15(23-5)14(18)9-13/h6-7,9-10H,8H2,1-5H3,(H,19,20)/t10-/m1/s1
InChIKeyXOTCEAXLMXHADM-SNVBAGLBSA-N
XLogP3.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide?
The IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide (CID 99786376) is (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide?
The canonical SMILES for (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide is COc1ccc(N(C)C(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc1Cl.
What is the InChIKey of (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide?
The InChIKey is XOTCEAXLMXHADM-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-10(17-11(2)19-20-12(17)3)8-16(22)21(4)13-6-7-15(23-5)14(18)9-13/h6-7,9-10H,8H2,1-5H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide?
(3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide has a molecular weight of 335.84 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide is sourced from PubChem (CID 99786376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).