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

C19H16N4 — CID 54586537

IUPAC4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCn1cc(-c2ccc(-c3cc[nH]c3)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C19H16N4/c1-23-13-18(19(22-23)16-6-9-20-10-7-16)15-4-2-14(3-5-15)17-8-11-21-12-17/h2-13,21H,1H3
InChIKeyYWOLNVDPDOQEOJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.14
Rot. Bonds3

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

4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 54586537) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine
PubChem CID54586537
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCn1cc(-c2ccc(-c3cc[nH]c3)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C19H16N4/c1-23-13-18(19(22-23)16-6-9-20-10-7-16)15-4-2-14(3-5-15)17-8-11-21-12-17/h2-13,21H,1H3
InChIKeyYWOLNVDPDOQEOJ-UHFFFAOYSA-N
XLogP4.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine (CID 54586537) is 4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine is Cn1cc(-c2ccc(-c3cc[nH]c3)cc2)c(-c2ccncc2)n1.
What is the InChIKey of 4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is YWOLNVDPDOQEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-23-13-18(19(22-23)16-6-9-20-10-7-16)15-4-2-14(3-5-15)17-8-11-21-12-17/h2-13,21H,1H3.
What are the key properties of 4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine?
4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 300.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-[4-(1H-pyrrol-3-yl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 54586537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).