N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine

C14H21N5 — CID 106568575

IUPACN-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine
SMILESCc1cn(CCn2cccn2)c(NC2CCCC2)n1
InChIInChI=1S/C14H21N5/c1-12-11-18(9-10-19-8-4-7-15-19)14(16-12)17-13-5-2-3-6-13/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,16,17)
InChIKeyNCJCGAFUXVPHAW-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.44
Rot. Bonds5

About N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine

N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine (PubChem CID 106568575) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine
PubChem CID106568575
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine
SMILESCc1cn(CCn2cccn2)c(NC2CCCC2)n1
InChIInChI=1S/C14H21N5/c1-12-11-18(9-10-19-8-4-7-15-19)14(16-12)17-13-5-2-3-6-13/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,16,17)
InChIKeyNCJCGAFUXVPHAW-UHFFFAOYSA-N
XLogP2.44
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine?
The IUPAC name of N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine (CID 106568575) is N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine is Cc1cn(CCn2cccn2)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine?
The InChIKey is NCJCGAFUXVPHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-12-11-18(9-10-19-8-4-7-15-19)14(16-12)17-13-5-2-3-6-13/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine?
N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106568575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).