1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole

C18H18N6 — CID 19588182

IUPAC1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCc1ccc(-n2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)cc1
InChIInChI=1S/C18H18N6/c1-13-4-6-16(7-5-13)24-18(15-10-20-23(3)12-15)8-17(21-24)14-9-19-22(2)11-14/h4-12H,1-3H3
InChIKeySFJIWAIEPWEEPX-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole

1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole (PubChem CID 19588182) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
PubChem CID19588182
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCc1ccc(-n2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)cc1
InChIInChI=1S/C18H18N6/c1-13-4-6-16(7-5-13)24-18(15-10-20-23(3)12-15)8-17(21-24)14-9-19-22(2)11-14/h4-12H,1-3H3
InChIKeySFJIWAIEPWEEPX-UHFFFAOYSA-N
XLogP2.98
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
CID 19588186
4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 156513153
3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 71040961
3-methyl-1,5-bis(4-methylphenyl)pyrazole
CID 59881727
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587253
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142411203
N-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 59501229
3-(4-methylphenyl)-1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole
CID 118855476
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole (CID 19588182) is 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole is Cc1ccc(-n2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The InChIKey is SFJIWAIEPWEEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-13-4-6-16(7-5-13)24-18(15-10-20-23(3)12-15)8-17(21-24)14-9-19-22(2)11-14/h4-12H,1-3H3.
What are the key properties of 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole has a molecular weight of 318.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 19588182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).