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

C14H25N3 — CID 64728538

IUPAC1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1cnn(C2CC(C)CC(C)C2)c1
InChIInChI=1S/C14H25N3/c1-4-14(15)12-8-16-17(9-12)13-6-10(2)5-11(3)7-13/h8-11,13-14H,4-7,15H2,1-3H3
InChIKeyMMXPEBTXYCKHEF-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.29
Rot. Bonds3

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

1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine (PubChem CID 64728538) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine
PubChem CID64728538
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1cnn(C2CC(C)CC(C)C2)c1
InChIInChI=1S/C14H25N3/c1-4-14(15)12-8-16-17(9-12)13-6-10(2)5-11(3)7-13/h8-11,13-14H,4-7,15H2,1-3H3
InChIKeyMMXPEBTXYCKHEF-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine (CID 64728538) is 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine is CCC(N)c1cnn(C2CC(C)CC(C)C2)c1.
What is the InChIKey of 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is MMXPEBTXYCKHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-14(15)12-8-16-17(9-12)13-6-10(2)5-11(3)7-13/h8-11,13-14H,4-7,15H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine?
1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 64728538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).