N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine

C14H25N3 — CID 60808983

IUPACN-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H25N3/c1-14(2,3)11-5-7-12(8-6-11)15-13-9-10-17(4)16-13/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyVQVQPNWNGZYSBV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.44
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine

N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine (PubChem CID 60808983) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine
PubChem CID60808983
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H25N3/c1-14(2,3)11-5-7-12(8-6-11)15-13-9-10-17(4)16-13/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyVQVQPNWNGZYSBV-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylcyclohexyl)-1-methylpyrazol-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-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine (CID 60808983) is N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine is Cn1ccc(NC2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine?
The InChIKey is VQVQPNWNGZYSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)11-5-7-12(8-6-11)15-13-9-10-17(4)16-13/h9-12H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine?
N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 60808983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).