(2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide

C17H20ClN3O3 — CID 124877193

IUPAC(2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc([C@H](O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cn1
InChIInChI=1S/C17H20ClN3O3/c1-21-10-11(9-19-21)16(22)17(23)20-12-6-7-15(14(18)8-12)24-13-4-2-3-5-13/h6-10,13,16,22H,2-5H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyDTFJPMIJAFTIPM-INIZCTEOSA-N
MW349.82 g/mol
LogP3.07
Rot. Bonds5

About (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide

(2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 124877193) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID124877193
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name(2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc([C@H](O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cn1
InChIInChI=1S/C17H20ClN3O3/c1-21-10-11(9-19-21)16(22)17(23)20-12-6-7-15(14(18)8-12)24-13-4-2-3-5-13/h6-10,13,16,22H,2-5H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyDTFJPMIJAFTIPM-INIZCTEOSA-N
XLogP3.07
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120987263
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 71886636
N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175612
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60577123
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431508
2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide
CID 166389492
2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 60574786
(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide
CID 124744485
N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide
CID 95161860
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119748052

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide (CID 124877193) is (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc([C@H](O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cn1.
What is the InChIKey of (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is DTFJPMIJAFTIPM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-21-10-11(9-19-21)16(22)17(23)20-12-6-7-15(14(18)8-12)24-13-4-2-3-5-13/h6-10,13,16,22H,2-5H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide?
(2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 124877193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).