2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine

C20H18N4 — CID 157474934

IUPAC2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine
SMILESCc1cc(-c2cccc(Cc3cccc(-c4ccc[nH]4)n3)c2)n[nH]1
InChIInChI=1S/C20H18N4/c1-14-11-20(24-23-14)16-6-2-5-15(12-16)13-17-7-3-8-19(22-17)18-9-4-10-21-18/h2-12,21H,13H2,1H3,(H,23,24)
InChIKeyQTWFQDHNRNFQGA-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.37
Rot. Bonds4

About 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine

2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine (PubChem CID 157474934) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine
PubChem CID157474934
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine
SMILESCc1cc(-c2cccc(Cc3cccc(-c4ccc[nH]4)n3)c2)n[nH]1
InChIInChI=1S/C20H18N4/c1-14-11-20(24-23-14)16-6-2-5-15(12-16)13-17-7-3-8-19(22-17)18-9-4-10-21-18/h2-12,21H,13H2,1H3,(H,23,24)
InChIKeyQTWFQDHNRNFQGA-UHFFFAOYSA-N
XLogP4.37
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
CID 71568660
3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole
CID 159817275
[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 82468594
3-(3-butan-2-ylphenyl)-5-methyl-1H-pyrazole
CID 166536495
2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine
CID 159817274
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine
CID 71277362
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine
CID 139199162
5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529456
N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 136665405
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine?
The IUPAC name of 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine (CID 157474934) is 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine is Cc1cc(-c2cccc(Cc3cccc(-c4ccc[nH]4)n3)c2)n[nH]1.
What is the InChIKey of 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine?
The InChIKey is QTWFQDHNRNFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-11-20(24-23-14)16-6-2-5-15(12-16)13-17-7-3-8-19(22-17)18-9-4-10-21-18/h2-12,21H,13H2,1H3,(H,23,24).
What are the key properties of 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine?
2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine has a molecular weight of 314.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-6-(1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 157474934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).