N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide

C14H20N4O — CID 128915883

IUPACN-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide
SMILESO=C(NC1CC2CC2C1)N1CCC(n2cccn2)C1
InChIInChI=1S/C14H20N4O/c19-14(16-12-7-10-6-11(10)8-12)17-5-2-13(9-17)18-4-1-3-15-18/h1,3-4,10-13H,2,5-9H2,(H,16,19)
InChIKeyAALMXQRLJGCIGU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds2

About N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide

N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide (PubChem CID 128915883) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide
PubChem CID128915883
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide
SMILESO=C(NC1CC2CC2C1)N1CCC(n2cccn2)C1
InChIInChI=1S/C14H20N4O/c19-14(16-12-7-10-6-11(10)8-12)17-5-2-13(9-17)18-4-1-3-15-18/h1,3-4,10-13H,2,5-9H2,(H,16,19)
InChIKeyAALMXQRLJGCIGU-UHFFFAOYSA-N
XLogP1.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946395
tert-butyl (3S)-3-pyrazol-1-ylpyrrolidine-1-carboxylate
CID 96536772
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946397
(3-pyrazol-1-ylpyrrolidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 126946676
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 126946761
N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide
CID 71967691
N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
CID 84588159
2-(1,2-benzoxazol-3-yl)-1-(3-pyrazol-1-ylpyrrolidin-1-yl)ethanone
CID 126946357
1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
(1S,6S)-9-methyl-N-(3-phenylcyclobutyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 129423882
3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946356

Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide (CID 128915883) is N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide is O=C(NC1CC2CC2C1)N1CCC(n2cccn2)C1.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide?
The InChIKey is AALMXQRLJGCIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14(16-12-7-10-6-11(10)8-12)17-5-2-13(9-17)18-4-1-3-15-18/h1,3-4,10-13H,2,5-9H2,(H,16,19).
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide?
N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 128915883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).