5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine

C13H23N3O — CID 66018723

IUPAC5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(OC2CCCCC2)c1N
InChIInChI=1S/C13H23N3O/c1-3-7-11-12(14)13(16(2)15-11)17-10-8-5-4-6-9-10/h10H,3-9,14H2,1-2H3
InChIKeyXENFJGSOCJDXHU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.67
Rot. Bonds4

About 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine

5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66018723) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine
PubChem CID66018723
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(OC2CCCCC2)c1N
InChIInChI=1S/C13H23N3O/c1-3-7-11-12(14)13(16(2)15-11)17-10-8-5-4-6-9-10/h10H,3-9,14H2,1-2H3
InChIKeyXENFJGSOCJDXHU-UHFFFAOYSA-N
XLogP2.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine (CID 66018723) is 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(OC2CCCCC2)c1N.
What is the InChIKey of 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is XENFJGSOCJDXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-11-12(14)13(16(2)15-11)17-10-8-5-4-6-9-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine?
5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).