N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine

C13H22N4 — CID 56701101

IUPACN-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine
SMILESc1cnn(CC2(CNC3CCCNC3)CC2)c1
InChIInChI=1S/C13H22N4/c1-3-12(9-14-6-1)15-10-13(4-5-13)11-17-8-2-7-16-17/h2,7-8,12,14-15H,1,3-6,9-11H2
InChIKeySNHHBDOAPHTFAZ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.00
Rot. Bonds5

About N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine

N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine (PubChem CID 56701101) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine
PubChem CID56701101
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine
SMILESc1cnn(CC2(CNC3CCCNC3)CC2)c1
InChIInChI=1S/C13H22N4/c1-3-12(9-14-6-1)15-10-13(4-5-13)11-17-8-2-7-16-17/h2,7-8,12,14-15H,1,3-6,9-11H2
InChIKeySNHHBDOAPHTFAZ-UHFFFAOYSA-N
XLogP1.00
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine 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-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine?
The IUPAC name of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine (CID 56701101) is N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine.
What is the SMILES notation for N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine?
The canonical SMILES for N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine is c1cnn(CC2(CNC3CCCNC3)CC2)c1.
What is the InChIKey of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine?
The InChIKey is SNHHBDOAPHTFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-12(9-14-6-1)15-10-13(4-5-13)11-17-8-2-7-16-17/h2,7-8,12,14-15H,1,3-6,9-11H2.
What are the key properties of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine?
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]piperidin-3-amine is sourced from PubChem (CID 56701101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).