N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide

C20H20ClN3O2 — CID 42947640

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c21-17-9-7-16(8-10-17)19(25)13-22-20(26)11-6-15-12-23-24(14-15)18-4-2-1-3-5-18/h1-5,7-10,12,14,19,25H,6,11,13H2,(H,22,26)
InChIKeyJUJZBIXEKVECDD-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 42947640) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID42947640
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c21-17-9-7-16(8-10-17)19(25)13-22-20(26)11-6-15-12-23-24(14-15)18-4-2-1-3-5-18/h1-5,7-10,12,14,19,25H,6,11,13H2,(H,22,26)
InChIKeyJUJZBIXEKVECDD-UHFFFAOYSA-N
XLogP3.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111450825
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 29261722
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide
CID 34733192

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 42947640) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is JUJZBIXEKVECDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-17-9-7-16(8-10-17)19(25)13-22-20(26)11-6-15-12-23-24(14-15)18-4-2-1-3-5-18/h1-5,7-10,12,14,19,25H,6,11,13H2,(H,22,26).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 369.85 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 42947640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).