2-[(3-phenylpyrazol-1-yl)methyl]pyridine

C15H13N3 — CID 118497014

IUPAC2-[(3-phenylpyrazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2ccn(Cc3ccccn3)n2)cc1
InChIInChI=1S/C15H13N3/c1-2-6-13(7-3-1)15-9-11-18(17-15)12-14-8-4-5-10-16-14/h1-11H,12H2
InChIKeyPSRUPKSAEKELOQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.99
Rot. Bonds3

About 2-[(3-phenylpyrazol-1-yl)methyl]pyridine

2-[(3-phenylpyrazol-1-yl)methyl]pyridine (PubChem CID 118497014) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(3-phenylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(3-phenylpyrazol-1-yl)methyl]pyridine
PubChem CID118497014
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-[(3-phenylpyrazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2ccn(Cc3ccccn3)n2)cc1
InChIInChI=1S/C15H13N3/c1-2-6-13(7-3-1)15-9-11-18(17-15)12-14-8-4-5-10-16-14/h1-11H,12H2
InChIKeyPSRUPKSAEKELOQ-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine
CID 137461204
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
2-(1-benzylpyrazol-3-yl)pyridine
CID 71374413
1-cyclopentyl-3-ethyl-6-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]indazole
CID 141103857
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
CID 156810321
3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole
CID 11684541
3-(3-phenylpyrazol-1-yl)propan-1-amine
CID 57225194
[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 62949782
bis(acetonitrile);palladium(2+);bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139132083
[difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane
CID 170149782

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-[(3-phenylpyrazol-1-yl)methyl]pyridine (CID 118497014) is 2-[(3-phenylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(3-phenylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(3-phenylpyrazol-1-yl)methyl]pyridine is c1ccc(-c2ccn(Cc3ccccn3)n2)cc1.
What is the InChIKey of 2-[(3-phenylpyrazol-1-yl)methyl]pyridine?
The InChIKey is PSRUPKSAEKELOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-6-13(7-3-1)15-9-11-18(17-15)12-14-8-4-5-10-16-14/h1-11H,12H2.
What are the key properties of 2-[(3-phenylpyrazol-1-yl)methyl]pyridine?
2-[(3-phenylpyrazol-1-yl)methyl]pyridine has a molecular weight of 235.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 118497014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).