N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide

C24H26N4O3 — CID 6723090

IUPACN-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)[C@H](CO)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H26N4O3/c29-16-20(22(30)26-21-15-19(27-28-21)17-9-3-1-4-10-17)25-23(31)24(13-7-8-14-24)18-11-5-2-6-12-18/h1-6,9-12,15,20,29H,7-8,13-14,16H2,(H,25,31)(H2,26,27,28,30)/t20-/m0/s1
InChIKeyUMYKAFSRPCHTIJ-FQEVSTJZSA-N
MW418.50 g/mol
LogP3.00
Rot. Bonds7

About N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide

N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 6723090) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID6723090
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)[C@H](CO)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H26N4O3/c29-16-20(22(30)26-21-15-19(27-28-21)17-9-3-1-4-10-17)25-23(31)24(13-7-8-14-24)18-11-5-2-6-12-18/h1-6,9-12,15,20,29H,7-8,13-14,16H2,(H,25,31)(H2,26,27,28,30)/t20-/m0/s1
InChIKeyUMYKAFSRPCHTIJ-FQEVSTJZSA-N
XLogP3.00
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 4243741
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723092
N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 6723057
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
CID 138031119
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481
3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
CID 6723161
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 63715050
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide (CID 6723090) is N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide is O=C(Nc1cc(-c2ccccc2)[nH]n1)[C@H](CO)NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is UMYKAFSRPCHTIJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-16-20(22(30)26-21-15-19(27-28-21)17-9-3-1-4-10-17)25-23(31)24(13-7-8-14-24)18-11-5-2-6-12-18/h1-6,9-12,15,20,29H,7-8,13-14,16H2,(H,25,31)(H2,26,27,28,30)/t20-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide?
N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 6723090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).