(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide

C17H20ClN3O2 — CID 100829263

IUPAC(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
SMILESC[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C17H20ClN3O2/c1-12(16(22)19-13-7-5-6-8-13)23-17-15(18)11-21(20-17)14-9-3-2-4-10-14/h2-4,9-13H,5-8H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyUFIMUHSVGRNWCQ-LBPRGKRZSA-N
MW333.82 g/mol
LogP3.35
Rot. Bonds5

About (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide

(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide (PubChem CID 100829263) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
PubChem CID100829263
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
SMILESC[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C17H20ClN3O2/c1-12(16(22)19-13-7-5-6-8-13)23-17-15(18)11-21(20-17)14-9-3-2-4-10-14/h2-4,9-13H,5-8H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyUFIMUHSVGRNWCQ-LBPRGKRZSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 102567233
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide
CID 100829183
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
(2S)-N-cyclopentyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819947
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260
1-(azepan-1-yl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxypropan-1-one
CID 102567189
N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138634
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 102567212
N-cyclopentyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxyacetamide
CID 100819839
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
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide (CID 100829263) is (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide is C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide?
The InChIKey is UFIMUHSVGRNWCQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12(16(22)19-13-7-5-6-8-13)23-17-15(18)11-21(20-17)14-9-3-2-4-10-14/h2-4,9-13H,5-8H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide?
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide has a molecular weight of 333.82 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide is sourced from PubChem (CID 100829263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).