(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide

C21H22ClN3O — CID 42214678

IUPAC(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCN(CCc1cn[nH]c1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O/c1-25(12-11-16-14-23-24-15-16)21(26)13-20(17-5-3-2-4-6-17)18-7-9-19(22)10-8-18/h2-10,14-15,20H,11-13H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyJZGYXQYTFLQINF-FQEVSTJZSA-N
MW367.88 g/mol
LogP4.29
Rot. Bonds7

About (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide

(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 42214678) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID42214678
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCN(CCc1cn[nH]c1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O/c1-25(12-11-16-14-23-24-15-16)21(26)13-20(17-5-3-2-4-6-17)18-7-9-19(22)10-8-18/h2-10,14-15,20H,11-13H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyJZGYXQYTFLQINF-FQEVSTJZSA-N
XLogP4.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (CID 42214678) is (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is CN(CCc1cn[nH]c1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is JZGYXQYTFLQINF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-25(12-11-16-14-23-24-15-16)21(26)13-20(17-5-3-2-4-6-17)18-7-9-19(22)10-8-18/h2-10,14-15,20H,11-13H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 367.88 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 42214678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).