1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine

C17H31N3 — CID 28533715

IUPAC1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
SMILESCCC(C)(C)C1CCC(Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C17H31N3/c1-7-17(4,5)14-8-10-15(11-9-14)18-16-12(2)19-20(6)13(16)3/h14-15,18H,7-11H2,1-6H3
InChIKeyKOFIAIUVPQDROQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.44
Rot. Bonds4

About 1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine

1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine (PubChem CID 28533715) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
PubChem CID28533715
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
SMILESCCC(C)(C)C1CCC(Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C17H31N3/c1-7-17(4,5)14-8-10-15(11-9-14)18-16-12(2)19-20(6)13(16)3/h14-15,18H,7-11H2,1-6H3
InChIKeyKOFIAIUVPQDROQ-UHFFFAOYSA-N
XLogP4.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.44
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-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine (CID 28533715) is 1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine is CCC(C)(C)C1CCC(Nc2c(C)nn(C)c2C)CC1.
What is the InChIKey of 1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine?
The InChIKey is KOFIAIUVPQDROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-7-17(4,5)14-8-10-15(11-9-14)18-16-12(2)19-20(6)13(16)3/h14-15,18H,7-11H2,1-6H3.
What are the key properties of 1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine has a molecular weight of 277.46 g/mol, XLogP of 4.44, 4 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-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 28533715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).