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

C17H17N3 — CID 22037187

IUPAC4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
SMILESCc1cc(C)cc(-c2n[nH]c(C)c2-c2ccncc2)c1
InChIInChI=1S/C17H17N3/c1-11-8-12(2)10-15(9-11)17-16(13(3)19-20-17)14-4-6-18-7-5-14/h4-10H,1-3H3,(H,19,20)
InChIKeyRWTROHCYVLMFSD-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.06
Rot. Bonds2

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

4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine (PubChem CID 22037187) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
PubChem CID22037187
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
SMILESCc1cc(C)cc(-c2n[nH]c(C)c2-c2ccncc2)c1
InChIInChI=1S/C17H17N3/c1-11-8-12(2)10-15(9-11)17-16(13(3)19-20-17)14-4-6-18-7-5-14/h4-10H,1-3H3,(H,19,20)
InChIKeyRWTROHCYVLMFSD-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine (CID 22037187) is 4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine is Cc1cc(C)cc(-c2n[nH]c(C)c2-c2ccncc2)c1.
What is the InChIKey of 4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
The InChIKey is RWTROHCYVLMFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-8-12(2)10-15(9-11)17-16(13(3)19-20-17)14-4-6-18-7-5-14/h4-10H,1-3H3,(H,19,20).
What are the key properties of 4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine has a molecular weight of 263.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22037187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).