N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine

C15H27N3 — CID 82696836

IUPACN-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(CC(C)C)c(CC)c1CNC1CC1
InChIInChI=1S/C15H27N3/c1-5-14-13(9-16-12-7-8-12)15(6-2)18(17-14)10-11(3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyOGICNQICGUPLGJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.92
Rot. Bonds7

About N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 82696836) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID82696836
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(CC(C)C)c(CC)c1CNC1CC1
InChIInChI=1S/C15H27N3/c1-5-14-13(9-16-12-7-8-12)15(6-2)18(17-14)10-11(3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyOGICNQICGUPLGJ-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 82696836) is N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine is CCc1nn(CC(C)C)c(CC)c1CNC1CC1.
What is the InChIKey of N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is OGICNQICGUPLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-14-13(9-16-12-7-8-12)15(6-2)18(17-14)10-11(3)4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82696836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).