1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

C16H29N3 — CID 64740273

IUPAC1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(C2CCC(C)C(C)C2)c1C
InChIInChI=1S/C16H29N3/c1-6-15(17)16-12(4)18-19(13(16)5)14-8-7-10(2)11(3)9-14/h10-11,14-15H,6-9,17H2,1-5H3
InChIKeyCRNPVEFKIZPCNJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds3

About 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (PubChem CID 64740273) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
PubChem CID64740273
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(C2CCC(C)C(C)C2)c1C
InChIInChI=1S/C16H29N3/c1-6-15(17)16-12(4)18-19(13(16)5)14-8-7-10(2)11(3)9-14/h10-11,14-15H,6-9,17H2,1-5H3
InChIKeyCRNPVEFKIZPCNJ-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (CID 64740273) is 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is CCC(N)c1c(C)nn(C2CCC(C)C(C)C2)c1C.
What is the InChIKey of 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The InChIKey is CRNPVEFKIZPCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-15(17)16-12(4)18-19(13(16)5)14-8-7-10(2)11(3)9-14/h10-11,14-15H,6-9,17H2,1-5H3.
What are the key properties of 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 64740273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).