N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C15H27N3O — CID 54866530

IUPACN-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCOC1CCCCC1Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C15H27N3O/c1-10(2)18-12(4)15(11(3)17-18)16-13-8-6-7-9-14(13)19-5/h10,13-14,16H,6-9H2,1-5H3
InChIKeyJAHFULQXHXKPAW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.45
Rot. Bonds4

About N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 54866530) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID54866530
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCOC1CCCCC1Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C15H27N3O/c1-10(2)18-12(4)15(11(3)17-18)16-13-8-6-7-9-14(13)19-5/h10,13-14,16H,6-9H2,1-5H3
InChIKeyJAHFULQXHXKPAW-UHFFFAOYSA-N
XLogP3.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 54866530) is N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is COC1CCCCC1Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is JAHFULQXHXKPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)18-12(4)15(11(3)17-18)16-13-8-6-7-9-14(13)19-5/h10,13-14,16H,6-9H2,1-5H3.
What are the key properties of N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 54866530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).