[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone

C14H15N5O3 — CID 119411732

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1
InChIInChI=1S/C14H15N5O3/c15-10-4-6-17(9-10)14(20)13-5-7-18(16-13)11-2-1-3-12(8-11)19(21)22/h1-3,5,7-8,10H,4,6,9,15H2/t10-/m1/s1
InChIKeyYYPYRVMJTPVUII-SNVBAGLBSA-N
MW301.31 g/mol
LogP0.95
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone (PubChem CID 119411732) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
PubChem CID119411732
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1
InChIInChI=1S/C14H15N5O3/c15-10-4-6-17(9-10)14(20)13-5-7-18(16-13)11-2-1-3-12(8-11)19(21)22/h1-3,5,7-8,10H,4,6,9,15H2/t10-/m1/s1
InChIKeyYYPYRVMJTPVUII-SNVBAGLBSA-N
XLogP0.95
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 119375214
[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 110911462
[1-(3-nitrophenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996077
N-cyclopropyl-1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 55903130
N-[1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 34353997
N-(2-aminoethyl)-1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481071
(3-aminopiperidin-1-yl)-[1-(3-nitrophenyl)triazol-4-yl]methanone;hydrochloride
CID 119380584
3-methyl-1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256743
tert-butyl 4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 38469014
cyclopropyl-[3,3-dimethyl-4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 75400922
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 39928572
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone (CID 119411732) is [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone is N[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone?
The InChIKey is YYPYRVMJTPVUII-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N5O3/c15-10-4-6-17(9-10)14(20)13-5-7-18(16-13)11-2-1-3-12(8-11)19(21)22/h1-3,5,7-8,10H,4,6,9,15H2/t10-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone has a molecular weight of 301.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 119411732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).