1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine

C14H24ClN3 — CID 55070569

IUPAC1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCC(C(C)(C)C)CC2)c(N)c1Cl
InChIInChI=1S/C14H24ClN3/c1-9-12(15)13(16)18(17-9)11-7-5-10(6-8-11)14(2,3)4/h10-11H,5-8,16H2,1-4H3
InChIKeyWGXDPASIQJIDPQ-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.20
Rot. Bonds1

About 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine

1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine (PubChem CID 55070569) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine
PubChem CID55070569
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCC(C(C)(C)C)CC2)c(N)c1Cl
InChIInChI=1S/C14H24ClN3/c1-9-12(15)13(16)18(17-9)11-7-5-10(6-8-11)14(2,3)4/h10-11H,5-8,16H2,1-4H3
InChIKeyWGXDPASIQJIDPQ-UHFFFAOYSA-N
XLogP4.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-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 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine (CID 55070569) is 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine is Cc1nn(C2CCC(C(C)(C)C)CC2)c(N)c1Cl.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine?
The InChIKey is WGXDPASIQJIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-9-12(15)13(16)18(17-9)11-7-5-10(6-8-11)14(2,3)4/h10-11H,5-8,16H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine?
1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine has a molecular weight of 269.82 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-chloro-3-methylpyrazol-5-amine is sourced from PubChem (CID 55070569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).