5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine

C13H23N3O — CID 66025043

IUPAC5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(OC2CCCCC2)c1N
InChIInChI=1S/C13H23N3O/c1-9(2)16-13(12(14)10(3)15-16)17-11-7-5-4-6-8-11/h9,11H,4-8,14H2,1-3H3
InChIKeyWSVQPRIDSHZLLZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.07
Rot. Bonds3

About 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine

5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66025043) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66025043
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(OC2CCCCC2)c1N
InChIInChI=1S/C13H23N3O/c1-9(2)16-13(12(14)10(3)15-16)17-11-7-5-4-6-8-11/h9,11H,4-8,14H2,1-3H3
InChIKeyWSVQPRIDSHZLLZ-UHFFFAOYSA-N
XLogP3.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine
CID 66025943
5-cyclopentyloxy-1,3-dimethylpyrazol-4-amine
CID 43554361
5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine
CID 62116290
5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66025269
5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027336
5-cyclopentyloxy-3-methyl-1-propylpyrazol-4-amine
CID 66029227
3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine
CID 66026170
5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027739
1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine
CID 43554434
3-methyl-1-propan-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)oxypyrazol-4-amine
CID 66024840
3-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxypropan-1-ol
CID 66026391
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-cyclopentylamino]acetamide
CID 66027381

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 66025043) is 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(OC2CCCCC2)c1N.
What is the InChIKey of 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is WSVQPRIDSHZLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)16-13(12(14)10(3)15-16)17-11-7-5-4-6-8-11/h9,11H,4-8,14H2,1-3H3.
What are the key properties of 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine?
5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 237.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66025043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).