4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine

C9H10N3+ — CID 173201433

IUPAC4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine
SMILESc1cc(Cc2cc[nH+][nH]2)ccn1
InChIInChI=1S/C9H9N3/c1-4-10-5-2-8(1)7-9-3-6-11-12-9/h1-6H,7H2,(H,11,12)/p+1
InChIKeyZCNSMDQVQYEMGC-UHFFFAOYSA-O
MW160.20 g/mol
LogP0.81
Rot. Bonds2

About 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine

4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine (PubChem CID 173201433) has the molecular formula C9H10N3+ and a molecular weight of 160.20 g/mol. Its IUPAC name is 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine.

Molecular Properties

Compound Name4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine
PubChem CID173201433
Molecular FormulaC9H10N3+
Molecular Weight160.20 g/mol
Exact Mass160.09
IUPAC Name4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine
SMILESc1cc(Cc2cc[nH+][nH]2)ccn1
InChIInChI=1S/C9H9N3/c1-4-10-5-2-8(1)7-9-3-6-11-12-9/h1-6H,7H2,(H,11,12)/p+1
InChIKeyZCNSMDQVQYEMGC-UHFFFAOYSA-O
XLogP0.81
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine?
The IUPAC name of 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine (CID 173201433) is 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine.
What is the SMILES notation for 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine?
The canonical SMILES for 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine is c1cc(Cc2cc[nH+][nH]2)ccn1.
What is the InChIKey of 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine?
The InChIKey is ZCNSMDQVQYEMGC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9N3/c1-4-10-5-2-8(1)7-9-3-6-11-12-9/h1-6H,7H2,(H,11,12)/p+1.
What are the key properties of 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine?
4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine has a molecular weight of 160.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine is sourced from PubChem (CID 173201433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).