5-methyl-1,3,4-triphenylpyrazole

C22H18N2 — CID 1202580

IUPAC5-methyl-1,3,4-triphenylpyrazole
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H18N2/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23-24(17)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyNFKMLMAIWDHMJX-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.51
Rot. Bonds3

About 5-methyl-1,3,4-triphenylpyrazole

5-methyl-1,3,4-triphenylpyrazole (PubChem CID 1202580) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-methyl-1,3,4-triphenylpyrazole.

Molecular Properties

Compound Name5-methyl-1,3,4-triphenylpyrazole
PubChem CID1202580
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name5-methyl-1,3,4-triphenylpyrazole
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H18N2/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23-24(17)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyNFKMLMAIWDHMJX-UHFFFAOYSA-N
XLogP5.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
1,5-dimethyl-3,4-diphenylpyrazole
CID 13146064
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-methyl-3-nitro-1,4-diphenylpyrazole
CID 145048719
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole
CID 68622638
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,4-triphenylpyrazole?
The IUPAC name of 5-methyl-1,3,4-triphenylpyrazole (CID 1202580) is 5-methyl-1,3,4-triphenylpyrazole.
What is the SMILES notation for 5-methyl-1,3,4-triphenylpyrazole?
The canonical SMILES for 5-methyl-1,3,4-triphenylpyrazole is Cc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,3,4-triphenylpyrazole?
The InChIKey is NFKMLMAIWDHMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23-24(17)20-15-9-4-10-16-20/h2-16H,1H3.
What are the key properties of 5-methyl-1,3,4-triphenylpyrazole?
5-methyl-1,3,4-triphenylpyrazole has a molecular weight of 310.40 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,4-triphenylpyrazole is sourced from PubChem (CID 1202580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).