3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine

C14H25N3O — CID 66025943

IUPAC3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(OC2CCC(C)CC2)c1N
InChIInChI=1S/C14H25N3O/c1-9(2)17-14(13(15)11(4)16-17)18-12-7-5-10(3)6-8-12/h9-10,12H,5-8,15H2,1-4H3
InChIKeyJDQBBOIZFUEEKX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.31
Rot. Bonds3

About 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine

3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine (PubChem CID 66025943) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine
PubChem CID66025943
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(OC2CCC(C)CC2)c1N
InChIInChI=1S/C14H25N3O/c1-9(2)17-14(13(15)11(4)16-17)18-12-7-5-10(3)6-8-12/h9-10,12H,5-8,15H2,1-4H3
InChIKeyJDQBBOIZFUEEKX-UHFFFAOYSA-N
XLogP3.31
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine (CID 66025943) is 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(OC2CCC(C)CC2)c1N.
What is the InChIKey of 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine?
The InChIKey is JDQBBOIZFUEEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9(2)17-14(13(15)11(4)16-17)18-12-7-5-10(3)6-8-12/h9-10,12H,5-8,15H2,1-4H3.
What are the key properties of 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine?
3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66025943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).