N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine

C16H22N4 — CID 64750963

IUPACN-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine
SMILESCC1CC(C)CC(Nc2ccc(-n3cccn3)nc2)C1
InChIInChI=1S/C16H22N4/c1-12-8-13(2)10-15(9-12)19-14-4-5-16(17-11-14)20-7-3-6-18-20/h3-7,11-13,15,19H,8-10H2,1-2H3
InChIKeyMLXZPQHILAVIJT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine

N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine (PubChem CID 64750963) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine
PubChem CID64750963
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine
SMILESCC1CC(C)CC(Nc2ccc(-n3cccn3)nc2)C1
InChIInChI=1S/C16H22N4/c1-12-8-13(2)10-15(9-12)19-14-4-5-16(17-11-14)20-7-3-6-18-20/h3-7,11-13,15,19H,8-10H2,1-2H3
InChIKeyMLXZPQHILAVIJT-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine (CID 64750963) is N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine is CC1CC(C)CC(Nc2ccc(-n3cccn3)nc2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is MLXZPQHILAVIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-8-13(2)10-15(9-12)19-14-4-5-16(17-11-14)20-7-3-6-18-20/h3-7,11-13,15,19H,8-10H2,1-2H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine?
N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 64750963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).