(2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide

C19H18ClN3O2 — CID 97068218

IUPAC(2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-15(20)8-9-17(12)25-13(2)19(24)22-16-11-21-23-18(16)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyHLQNQNHTGSWJEP-ZDUSSCGKSA-N
MW355.83 g/mol
LogP4.44
Rot. Bonds5

About (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide

(2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide (PubChem CID 97068218) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide
PubChem CID97068218
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-15(20)8-9-17(12)25-13(2)19(24)22-16-11-21-23-18(16)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyHLQNQNHTGSWJEP-ZDUSSCGKSA-N
XLogP4.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9172968
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 92685331

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide (CID 97068218) is (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide is Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cn[nH]c1-c1ccccc1.
What is the InChIKey of (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is HLQNQNHTGSWJEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-10-15(20)8-9-17(12)25-13(2)19(24)22-16-11-21-23-18(16)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide?
(2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 355.83 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-2-methylphenoxy)-N-(5-phenyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 97068218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).