3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine

C12H16N4 — CID 60892840

IUPAC3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine
SMILESCc1nn(CCc2ccncc2)c(C)c1N
InChIInChI=1S/C12H16N4/c1-9-12(13)10(2)16(15-9)8-5-11-3-6-14-7-4-11/h3-4,6-7H,5,8,13H2,1-2H3
InChIKeyPFAICRZLVPUYAY-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.72
Rot. Bonds3

About 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine

3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine (PubChem CID 60892840) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine
PubChem CID60892840
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine
SMILESCc1nn(CCc2ccncc2)c(C)c1N
InChIInChI=1S/C12H16N4/c1-9-12(13)10(2)16(15-9)8-5-11-3-6-14-7-4-11/h3-4,6-7H,5,8,13H2,1-2H3
InChIKeyPFAICRZLVPUYAY-UHFFFAOYSA-N
XLogP1.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine (CID 60892840) is 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine is Cc1nn(CCc2ccncc2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine?
The InChIKey is PFAICRZLVPUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-12(13)10(2)16(15-9)8-5-11-3-6-14-7-4-11/h3-4,6-7H,5,8,13H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine?
3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine has a molecular weight of 216.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 60892840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).