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

C19H17N5 — CID 25093325

IUPAC4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCc1cn[nH]c1-c1ccc(-c2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C19H17N5/c1-13-11-21-22-18(13)15-5-3-14(4-6-15)17-12-24(2)23-19(17)16-7-9-20-10-8-16/h3-12H,1-2H3,(H,21,22)
InChIKeyITRATIKKSKBADF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.85
Rot. Bonds3

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

4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 25093325) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine
PubChem CID25093325
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCc1cn[nH]c1-c1ccc(-c2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C19H17N5/c1-13-11-21-22-18(13)15-5-3-14(4-6-15)17-12-24(2)23-19(17)16-7-9-20-10-8-16/h3-12H,1-2H3,(H,21,22)
InChIKeyITRATIKKSKBADF-UHFFFAOYSA-N
XLogP3.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.85
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-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine (CID 25093325) is 4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine is Cc1cn[nH]c1-c1ccc(-c2cn(C)nc2-c2ccncc2)cc1.
What is the InChIKey of 4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is ITRATIKKSKBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-11-21-22-18(13)15-5-3-14(4-6-15)17-12-24(2)23-19(17)16-7-9-20-10-8-16/h3-12H,1-2H3,(H,21,22).
What are the key properties of 4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine?
4-[1-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 315.38 g/mol, XLogP of 3.85, 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-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 25093325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).