1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine

C16H29N3O — CID 66011775

IUPAC1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine
SMILESCC1CC(Oc2c(N)c(C(C)C)nn2C)CC(C)(C)C1
InChIInChI=1S/C16H29N3O/c1-10(2)14-13(17)15(19(6)18-14)20-12-7-11(3)8-16(4,5)9-12/h10-12H,7-9,17H2,1-6H3
InChIKeyPUMUOPHLDWUJNW-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.72
Rot. Bonds3

About 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine

1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine (PubChem CID 66011775) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine
PubChem CID66011775
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine
SMILESCC1CC(Oc2c(N)c(C(C)C)nn2C)CC(C)(C)C1
InChIInChI=1S/C16H29N3O/c1-10(2)14-13(17)15(19(6)18-14)20-12-7-11(3)8-16(4,5)9-12/h10-12H,7-9,17H2,1-6H3
InChIKeyPUMUOPHLDWUJNW-UHFFFAOYSA-N
XLogP3.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine (CID 66011775) is 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine is CC1CC(Oc2c(N)c(C(C)C)nn2C)CC(C)(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine?
The InChIKey is PUMUOPHLDWUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-10(2)14-13(17)15(19(6)18-14)20-12-7-11(3)8-16(4,5)9-12/h10-12H,7-9,17H2,1-6H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine?
1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine is sourced from PubChem (CID 66011775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).