N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

C15H18N4O2 — CID 56740333

IUPACN-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESN[C@@H]1CC[C@@H](NC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C15H18N4O2/c16-10-6-7-11(8-10)17-15(21)13-9-14(20)19(18-13)12-4-2-1-3-5-12/h1-5,9-11,18H,6-8,16H2,(H,17,21)/t10-,11-/m1/s1
InChIKeyUXJTXVNOKPGZDM-GHMZBOCLSA-N
MW286.33 g/mol
LogP0.78
Rot. Bonds3

About N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 56740333) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
PubChem CID56740333
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESN[C@@H]1CC[C@@H](NC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C15H18N4O2/c16-10-6-7-11(8-10)17-15(21)13-9-14(20)19(18-13)12-4-2-1-3-5-12/h1-5,9-11,18H,6-8,16H2,(H,17,21)/t10-,11-/m1/s1
InChIKeyUXJTXVNOKPGZDM-GHMZBOCLSA-N
XLogP0.78
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 155502753
2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride
CID 120597824
N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 155505828
N-[(1R,3R)-3-aminocyclopentyl]-3-phenyltriazole-4-carboxamide;hydrochloride
CID 154887189
N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
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2-(4-methylphenyl)-N-[(1R,2S)-2-methyl-2-phenylcyclopropyl]-3-oxo-1H-pyrazole-5-carboxamide
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CID 62318715
N-[(1S,3S)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 133119346
N-[(1R,3R)-3-aminocyclopentyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 56874838
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 99937966
N-[(1S,3R)-3-aminocyclohexyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (CID 56740333) is N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is N[C@@H]1CC[C@@H](NC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)C1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is UXJTXVNOKPGZDM-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-10-6-7-11(8-10)17-15(21)13-9-14(20)19(18-13)12-4-2-1-3-5-12/h1-5,9-11,18H,6-8,16H2,(H,17,21)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56740333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).