5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine

C15H27N3O — CID 114340426

IUPAC5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1OC1CCC(C)(C)CC1
InChIInChI=1S/C15H27N3O/c1-5-10-18-14(13(16)11(2)17-18)19-12-6-8-15(3,4)9-7-12/h12H,5-10,16H2,1-4H3
InChIKeyKZYBLBKCRSVLHS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.53
Rot. Bonds4

About 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine

5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine (PubChem CID 114340426) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine
PubChem CID114340426
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1OC1CCC(C)(C)CC1
InChIInChI=1S/C15H27N3O/c1-5-10-18-14(13(16)11(2)17-18)19-12-6-8-15(3,4)9-7-12/h12H,5-10,16H2,1-4H3
InChIKeyKZYBLBKCRSVLHS-UHFFFAOYSA-N
XLogP3.53
TPSA53.07 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine (CID 114340426) is 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1OC1CCC(C)(C)CC1.
What is the InChIKey of 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is KZYBLBKCRSVLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-10-18-14(13(16)11(2)17-18)19-12-6-8-15(3,4)9-7-12/h12H,5-10,16H2,1-4H3.
What are the key properties of 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine?
5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 114340426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).