1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine

C13H23N3 — CID 28664348

IUPAC1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCC(C)CC1
InChIInChI=1S/C13H23N3/c1-9-5-7-12(8-6-9)14-13-10(2)15-16(4)11(13)3/h9,12,14H,5-8H2,1-4H3
InChIKeyGEMDUJLLQGBLQR-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.03
Rot. Bonds2

About 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine

1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine (PubChem CID 28664348) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine
PubChem CID28664348
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCC(C)CC1
InChIInChI=1S/C13H23N3/c1-9-5-7-12(8-6-9)14-13-10(2)15-16(4)11(13)3/h9,12,14H,5-8H2,1-4H3
InChIKeyGEMDUJLLQGBLQR-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine (CID 28664348) is 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine is Cc1nn(C)c(C)c1NC1CCC(C)CC1.
What is the InChIKey of 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine?
The InChIKey is GEMDUJLLQGBLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9-5-7-12(8-6-9)14-13-10(2)15-16(4)11(13)3/h9,12,14H,5-8H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine?
1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine is sourced from PubChem (CID 28664348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).