2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole

C13H13N5 — CID 141352931

IUPAC2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole
SMILESCc1cn(-c2ccccc2)nc1-c1cnn(C)n1
InChIInChI=1S/C13H13N5/c1-10-9-18(11-6-4-3-5-7-11)16-13(10)12-8-14-17(2)15-12/h3-9H,1-2H3
InChIKeyBOLWVQLXOBHYQD-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole

2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole (PubChem CID 141352931) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole
PubChem CID141352931
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole
SMILESCc1cn(-c2ccccc2)nc1-c1cnn(C)n1
InChIInChI=1S/C13H13N5/c1-10-9-18(11-6-4-3-5-7-11)16-13(10)12-8-14-17(2)15-12/h3-9H,1-2H3
InChIKeyBOLWVQLXOBHYQD-UHFFFAOYSA-N
XLogP1.98
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methyl-1-phenylpyrazol-3-yl)pyrazol-1-yl]ethanol
CID 142747346
3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole
CID 142747374
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
CID 683196
3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine
CID 106758594
3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine
CID 158876961
1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 2316430
2-(4-methyl-1-phenylpyrazol-3-yl)ethanol
CID 142747347
4,7-dimethyl-2-phenylindazole
CID 175730275
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine
CID 169415294
4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol
CID 23402776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole?
The IUPAC name of 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole (CID 141352931) is 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole.
What is the SMILES notation for 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole?
The canonical SMILES for 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole is Cc1cn(-c2ccccc2)nc1-c1cnn(C)n1.
What is the InChIKey of 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole?
The InChIKey is BOLWVQLXOBHYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-10-9-18(11-6-4-3-5-7-11)16-13(10)12-8-14-17(2)15-12/h3-9H,1-2H3.
What are the key properties of 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole?
2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole has a molecular weight of 239.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole is sourced from PubChem (CID 141352931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).