4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine

C17H23N3O — CID 117459944

IUPAC4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cnn(C)c2N)cc1C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-20-17(18)15(11-19-20)13-8-9-16(21-2)14(10-13)12-6-4-3-5-7-12/h8-12H,3-7,18H2,1-2H3
InChIKeyXDMDSAWOKMGXRM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds3

About 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine

4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117459944) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117459944
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cnn(C)c2N)cc1C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-20-17(18)15(11-19-20)13-8-9-16(21-2)14(10-13)12-6-4-3-5-7-12/h8-12H,3-7,18H2,1-2H3
InChIKeyXDMDSAWOKMGXRM-UHFFFAOYSA-N
XLogP3.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117459944) is 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine is COc1ccc(-c2cnn(C)c2N)cc1C1CCCCC1.
What is the InChIKey of 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is XDMDSAWOKMGXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-17(18)15(11-19-20)13-8-9-16(21-2)14(10-13)12-6-4-3-5-7-12/h8-12H,3-7,18H2,1-2H3.
What are the key properties of 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine?
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 285.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117459944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).