(1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide

C20H25FN4O3 — CID 157015089

IUPAC(1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
SMILESO=C(Cc1ccccc1F)N[C@H]1C[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O
InChIInChI=1S/C20H25FN4O3/c21-16-6-2-1-5-14(16)13-19(27)24-17-11-15(12-18(17)26)20(28)22-7-3-9-25-10-4-8-23-25/h1-2,4-6,8,10,15,17-18,26H,3,7,9,11-13H2,(H,22,28)(H,24,27)/t15-,17-,18-/m0/s1
InChIKeyUAOXSCZCAPTJTN-SZMVWBNQSA-N
MW388.44 g/mol
LogP1.03
Rot. Bonds8

About (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide

(1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide (PubChem CID 157015089) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
PubChem CID157015089
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Name(1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
SMILESO=C(Cc1ccccc1F)N[C@H]1C[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O
InChIInChI=1S/C20H25FN4O3/c21-16-6-2-1-5-14(16)13-19(27)24-17-11-15(12-18(17)26)20(28)22-7-3-9-25-10-4-8-23-25/h1-2,4-6,8,10,15,17-18,26H,3,7,9,11-13H2,(H,22,28)(H,24,27)/t15-,17-,18-/m0/s1
InChIKeyUAOXSCZCAPTJTN-SZMVWBNQSA-N
XLogP1.03
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
CID 157019447
3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-(3-pyrazol-1-ylpropylcarbamoyl)cyclohexyl]benzamide
CID 155909946
2-(4-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 19332301
(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 155505277
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111904643
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide
CID 157014672
(1S,3R,4R)-4-hydroxy-N-[2-(3-methyl-2-pyridinyl)ethyl]-3-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxamide
CID 162629062
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(3-pyrazol-1-ylpropyl)urea
CID 121494478
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263
1-(5-chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47199081

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide (CID 157015089) is (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide is O=C(Cc1ccccc1F)N[C@H]1C[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide?
The InChIKey is UAOXSCZCAPTJTN-SZMVWBNQSA-N. The full InChI is InChI=1S/C20H25FN4O3/c21-16-6-2-1-5-14(16)13-19(27)24-17-11-15(12-18(17)26)20(28)22-7-3-9-25-10-4-8-23-25/h1-2,4-6,8,10,15,17-18,26H,3,7,9,11-13H2,(H,22,28)(H,24,27)/t15-,17-,18-/m0/s1.
What are the key properties of (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide?
(1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 157015089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).