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

C9H13N3 — CID 62800474

IUPAC4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCn1cc(C2=CCNCC2)cn1
InChIInChI=1S/C9H13N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h2,6-7,10H,3-5H2,1H3
InChIKeyRQOFWKNLJBPFRO-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.80
Rot. Bonds1

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

4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 62800474) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine
PubChem CID62800474
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCn1cc(C2=CCNCC2)cn1
InChIInChI=1S/C9H13N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h2,6-7,10H,3-5H2,1H3
InChIKeyRQOFWKNLJBPFRO-UHFFFAOYSA-N
XLogP0.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine (CID 62800474) is 4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine is Cn1cc(C2=CCNCC2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is RQOFWKNLJBPFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h2,6-7,10H,3-5H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 163.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 62800474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).