3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

C17H24N4 — CID 80521961

IUPAC3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(CCC2CCCCC2)c(-c2ccccn2)c1N
InChIInChI=1S/C17H24N4/c1-21-17(18)16(14-9-5-6-12-19-14)15(20-21)11-10-13-7-3-2-4-8-13/h5-6,9,12-13H,2-4,7-8,10-11,18H2,1H3
InChIKeyBQACTTQQDKLDGJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.58
Rot. Bonds4

About 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80521961) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80521961
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(CCC2CCCCC2)c(-c2ccccn2)c1N
InChIInChI=1S/C17H24N4/c1-21-17(18)16(14-9-5-6-12-19-14)15(20-21)11-10-13-7-3-2-4-8-13/h5-6,9,12-13H,2-4,7-8,10-11,18H2,1H3
InChIKeyBQACTTQQDKLDGJ-UHFFFAOYSA-N
XLogP3.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (CID 80521961) is 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is Cn1nc(CCC2CCCCC2)c(-c2ccccn2)c1N.
What is the InChIKey of 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is BQACTTQQDKLDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-21-17(18)16(14-9-5-6-12-19-14)15(20-21)11-10-13-7-3-2-4-8-13/h5-6,9,12-13H,2-4,7-8,10-11,18H2,1H3.
What are the key properties of 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 284.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80521961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).