N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

C12H18N4O — CID 115319625

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESNc1cnn(CCNC(=O)C2C3CCCC32)c1
InChIInChI=1S/C12H18N4O/c13-8-6-15-16(7-8)5-4-14-12(17)11-9-2-1-3-10(9)11/h6-7,9-11H,1-5,13H2,(H,14,17)
InChIKeyKJJYECUINPPDNH-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.63
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 115319625) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID115319625
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESNc1cnn(CCNC(=O)C2C3CCCC32)c1
InChIInChI=1S/C12H18N4O/c13-8-6-15-16(7-8)5-4-14-12(17)11-9-2-1-3-10(9)11/h6-7,9-11H,1-5,13H2,(H,14,17)
InChIKeyKJJYECUINPPDNH-UHFFFAOYSA-N
XLogP0.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-aminopyrazol-1-yl)ethyl]-3-cyclopentylurea
CID 113285954
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000294
N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113285930
N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 81479001
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115319686
1-(2-cyclobutyloxyethyl)pyrazol-4-amine
CID 62137723
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-methylsulfonylacetamide
CID 115319573
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylpentanamide
CID 115319745
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-propylpentanamide
CID 82985272
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 115319550

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 115319625) is N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is Nc1cnn(CCNC(=O)C2C3CCCC32)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is KJJYECUINPPDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-8-6-15-16(7-8)5-4-14-12(17)11-9-2-1-3-10(9)11/h6-7,9-11H,1-5,13H2,(H,14,17).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 115319625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).