2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide

C22H29N3O3 — CID 146113876

IUPAC2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
SMILESO=C(Cc1ccccc1OC1CCCC1)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C22H29N3O3/c26-20-13-16(15-25-11-5-10-23-25)12-19(20)24-22(27)14-17-6-1-4-9-21(17)28-18-7-2-3-8-18/h1,4-6,9-11,16,18-20,26H,2-3,7-8,12-15H2,(H,24,27)/t16?,19-,20-/m1/s1
InChIKeyIJGXRCBETDZYTH-ODFWGIBRSA-N
MW383.49 g/mol
LogP2.70
Rot. Bonds7

About 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide

2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide (PubChem CID 146113876) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
PubChem CID146113876
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
SMILESO=C(Cc1ccccc1OC1CCCC1)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C22H29N3O3/c26-20-13-16(15-25-11-5-10-23-25)12-19(20)24-22(27)14-17-6-1-4-9-21(17)28-18-7-2-3-8-18/h1,4-6,9-11,16,18-20,26H,2-3,7-8,12-15H2,(H,24,27)/t16?,19-,20-/m1/s1
InChIKeyIJGXRCBETDZYTH-ODFWGIBRSA-N
XLogP2.70
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55810206
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 146110013
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 146113799
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 166286089
2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 167877600
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methylindol-1-yl)acetamide
CID 166286144
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 167791193
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(6-methoxy-3-pyridinyl)propanamide
CID 154795160
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide
CID 146113903
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 166297085

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide (CID 146113876) is 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide is O=C(Cc1ccccc1OC1CCCC1)N[C@@H]1CC(Cn2cccn2)C[C@H]1O.
What is the InChIKey of 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
The InChIKey is IJGXRCBETDZYTH-ODFWGIBRSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-20-13-16(15-25-11-5-10-23-25)12-19(20)24-22(27)14-17-6-1-4-9-21(17)28-18-7-2-3-8-18/h1,4-6,9-11,16,18-20,26H,2-3,7-8,12-15H2,(H,24,27)/t16?,19-,20-/m1/s1.
What are the key properties of 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide is sourced from PubChem (CID 146113876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).