2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide

C20H20ClN3O2 — CID 110210597

IUPAC2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
SMILESCC(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H20ClN3O2/c1-15(19(25)22-13-12-16-8-4-2-5-9-16)26-20-18(21)14-24(23-20)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,22,25)
InChIKeyMVIZDAJWKLVFLE-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.65
Rot. Bonds7

About 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide (PubChem CID 110210597) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
PubChem CID110210597
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
SMILESCC(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H20ClN3O2/c1-15(19(25)22-13-12-16-8-4-2-5-9-16)26-20-18(21)14-24(23-20)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,22,25)
InChIKeyMVIZDAJWKLVFLE-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 102567233
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide
CID 100829318
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 102567223
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 102567217
N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138644
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
CID 100829263
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-pyridin-3-ylpropanamide
CID 102567180
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 102567212
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 100829245
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(4-fluorophenyl)propyl]propanamide
CID 100830153

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide (CID 110210597) is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide is CC(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide?
The InChIKey is MVIZDAJWKLVFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-15(19(25)22-13-12-16-8-4-2-5-9-16)26-20-18(21)14-24(23-20)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,22,25).
What are the key properties of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide?
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide has a molecular weight of 369.85 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 110210597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).