4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine

C15H17N3 — CID 118144094

IUPAC4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCn1cc(-c2ccc(C3=CCNCC3)cc2)cn1
InChIInChI=1S/C15H17N3/c1-18-11-15(10-17-18)13-4-2-12(3-5-13)14-6-8-16-9-7-14/h2-6,10-11,16H,7-9H2,1H3
InChIKeyTYRFQTLHOGMVPR-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.46
Rot. Bonds2

About 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine

4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 118144094) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID118144094
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCn1cc(-c2ccc(C3=CCNCC3)cc2)cn1
InChIInChI=1S/C15H17N3/c1-18-11-15(10-17-18)13-4-2-12(3-5-13)14-6-8-16-9-7-14/h2-6,10-11,16H,7-9H2,1H3
InChIKeyTYRFQTLHOGMVPR-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine (CID 118144094) is 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine is Cn1cc(-c2ccc(C3=CCNCC3)cc2)cn1.
What is the InChIKey of 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is TYRFQTLHOGMVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-18-11-15(10-17-18)13-4-2-12(3-5-13)14-6-8-16-9-7-14/h2-6,10-11,16H,7-9H2,1H3.
What are the key properties of 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine?
4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 239.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 118144094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).