1-(2-pyridin-4-ylethyl)pyrazol-4-amine

C10H12N4 — CID 60892839

IUPAC1-(2-pyridin-4-ylethyl)pyrazol-4-amine
SMILESNc1cnn(CCc2ccncc2)c1
InChIInChI=1S/C10H12N4/c11-10-7-13-14(8-10)6-3-9-1-4-12-5-2-9/h1-2,4-5,7-8H,3,6,11H2
InChIKeyQVHFWTGNWOPZJH-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.10
Rot. Bonds3

About 1-(2-pyridin-4-ylethyl)pyrazol-4-amine

1-(2-pyridin-4-ylethyl)pyrazol-4-amine (PubChem CID 60892839) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-pyridin-4-ylethyl)pyrazol-4-amine
PubChem CID60892839
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-(2-pyridin-4-ylethyl)pyrazol-4-amine
SMILESNc1cnn(CCc2ccncc2)c1
InChIInChI=1S/C10H12N4/c11-10-7-13-14(8-10)6-3-9-1-4-12-5-2-9/h1-2,4-5,7-8H,3,6,11H2
InChIKeyQVHFWTGNWOPZJH-UHFFFAOYSA-N
XLogP1.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-pyridin-4-ylethyl)pyrazol-4-amine (CID 60892839) is 1-(2-pyridin-4-ylethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-pyridin-4-ylethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-pyridin-4-ylethyl)pyrazol-4-amine is Nc1cnn(CCc2ccncc2)c1.
What is the InChIKey of 1-(2-pyridin-4-ylethyl)pyrazol-4-amine?
The InChIKey is QVHFWTGNWOPZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-10-7-13-14(8-10)6-3-9-1-4-12-5-2-9/h1-2,4-5,7-8H,3,6,11H2.
What are the key properties of 1-(2-pyridin-4-ylethyl)pyrazol-4-amine?
1-(2-pyridin-4-ylethyl)pyrazol-4-amine has a molecular weight of 188.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 60892839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).