4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine

C18H15N5 — CID 25093324

IUPAC4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCn1cc(-c2ccc(-c3ccn[nH]3)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C18H15N5/c1-23-12-16(18(22-23)15-6-9-19-10-7-15)13-2-4-14(5-3-13)17-8-11-20-21-17/h2-12H,1H3,(H,20,21)
InChIKeyZZGACVWRPAHSSW-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.54
Rot. Bonds3

About 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine

4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 25093324) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine
PubChem CID25093324
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCn1cc(-c2ccc(-c3ccn[nH]3)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C18H15N5/c1-23-12-16(18(22-23)15-6-9-19-10-7-15)13-2-4-14(5-3-13)17-8-11-20-21-17/h2-12H,1H3,(H,20,21)
InChIKeyZZGACVWRPAHSSW-UHFFFAOYSA-N
XLogP3.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine (CID 25093324) is 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine is Cn1cc(-c2ccc(-c3ccn[nH]3)cc2)c(-c2ccncc2)n1.
What is the InChIKey of 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is ZZGACVWRPAHSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-23-12-16(18(22-23)15-6-9-19-10-7-15)13-2-4-14(5-3-13)17-8-11-20-21-17/h2-12H,1H3,(H,20,21).
What are the key properties of 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine?
4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 301.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 25093324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).