3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine

C12H21N3 — CID 79619290

IUPAC3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
SMILESCc1nn(C2CCCC(N)C2)c(C)c1C
InChIInChI=1S/C12H21N3/c1-8-9(2)14-15(10(8)3)12-6-4-5-11(13)7-12/h11-12H,4-7,13H2,1-3H3
InChIKeyVBGLWJDBYPDUDO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds1

About 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine

3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine (PubChem CID 79619290) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
PubChem CID79619290
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
SMILESCc1nn(C2CCCC(N)C2)c(C)c1C
InChIInChI=1S/C12H21N3/c1-8-9(2)14-15(10(8)3)12-6-4-5-11(13)7-12/h11-12H,4-7,13H2,1-3H3
InChIKeyVBGLWJDBYPDUDO-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
The IUPAC name of 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine (CID 79619290) is 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine is Cc1nn(C2CCCC(N)C2)c(C)c1C.
What is the InChIKey of 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
The InChIKey is VBGLWJDBYPDUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8-9(2)14-15(10(8)3)12-6-4-5-11(13)7-12/h11-12H,4-7,13H2,1-3H3.
What are the key properties of 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79619290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).