1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine

C16H29N3 — CID 43109023

IUPAC1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29N3/c1-10(2)14-8-7-11(3)9-15(14)17-16-12(4)18-19(6)13(16)5/h10-11,14-15,17H,7-9H2,1-6H3
InChIKeyIFLCWWUCXULHTR-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds3

About 1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine

1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine (PubChem CID 43109023) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine
PubChem CID43109023
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29N3/c1-10(2)14-8-7-11(3)9-15(14)17-16-12(4)18-19(6)13(16)5/h10-11,14-15,17H,7-9H2,1-6H3
InChIKeyIFLCWWUCXULHTR-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
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-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine (CID 43109023) is 1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine is Cc1nn(C)c(C)c1NC1CC(C)CCC1C(C)C.
What is the InChIKey of 1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine?
The InChIKey is IFLCWWUCXULHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-10(2)14-8-7-11(3)9-15(14)17-16-12(4)18-19(6)13(16)5/h10-11,14-15,17H,7-9H2,1-6H3.
What are the key properties of 1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine?
1,3,5-trimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 3 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-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine is sourced from PubChem (CID 43109023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).