N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine

C17H31N3 — CID 65089406

IUPACN-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H31N3/c1-13(2)20-12-16(11-18-20)19-15-8-6-7-14(9-10-15)17(3,4)5/h11-15,19H,6-10H2,1-5H3
InChIKeyUICQHXDSOZVFMP-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.87
Rot. Bonds3

About N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine

N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 65089406) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID65089406
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H31N3/c1-13(2)20-12-16(11-18-20)19-15-8-6-7-14(9-10-15)17(3,4)5/h11-15,19H,6-10H2,1-5H3
InChIKeyUICQHXDSOZVFMP-UHFFFAOYSA-N
XLogP4.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-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-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine (CID 65089406) is N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(NC2CCCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is UICQHXDSOZVFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)20-12-16(11-18-20)19-15-8-6-7-14(9-10-15)17(3,4)5/h11-15,19H,6-10H2,1-5H3.
What are the key properties of N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine?
N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 277.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 65089406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).