N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide

C15H18N4O — CID 133112639

IUPACN-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
SMILESN[C@H]1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C15H18N4O/c16-12-5-6-13(10-12)18-15(20)11-3-1-4-14(9-11)19-8-2-7-17-19/h1-4,7-9,12-13H,5-6,10,16H2,(H,18,20)/t12-,13-/m0/s1
InChIKeyZTMVENKSKVUFGS-STQMWFEESA-N
MW270.34 g/mol
LogP1.48
Rot. Bonds3

About N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide

N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide (PubChem CID 133112639) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
PubChem CID133112639
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
SMILESN[C@H]1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C15H18N4O/c16-12-5-6-13(10-12)18-15(20)11-3-1-4-14(9-11)19-8-2-7-17-19/h1-4,7-9,12-13H,5-6,10,16H2,(H,18,20)/t12-,13-/m0/s1
InChIKeyZTMVENKSKVUFGS-STQMWFEESA-N
XLogP1.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119474816
N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 96528372
N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide
CID 56915580
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyrazol-1-ylbenzamide
CID 155912648
N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 115272852
N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 95216055
3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91818067
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
(2S,4S)-4-amino-N-propan-2-yl-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56712494
N-[4-[2-(7-pyrazin-2-yl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-pyrazol-1-ylbenzamide;hydrochloride
CID 44534559
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-pyrazol-1-ylbenzamide
CID 163267123
3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788707

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide (CID 133112639) is N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide is N[C@H]1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1.
What is the InChIKey of N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is ZTMVENKSKVUFGS-STQMWFEESA-N. The full InChI is InChI=1S/C15H18N4O/c16-12-5-6-13(10-12)18-15(20)11-3-1-4-14(9-11)19-8-2-7-17-19/h1-4,7-9,12-13H,5-6,10,16H2,(H,18,20)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide?
N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 270.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 133112639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).