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

C21H24N6 — CID 19588154

IUPAC3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole
SMILESCc1cccc(-n2nc(-c3cn(C)nc3C)c(C)c2-c2cn(C)nc2C)c1
InChIInChI=1S/C21H24N6/c1-13-8-7-9-17(10-13)27-21(19-12-26(6)23-16(19)4)14(2)20(24-27)18-11-25(5)22-15(18)3/h7-12H,1-6H3
InChIKeyKLTLGNQDJHLUAR-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.91
Rot. Bonds3

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

3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole (PubChem CID 19588154) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole
PubChem CID19588154
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole
SMILESCc1cccc(-n2nc(-c3cn(C)nc3C)c(C)c2-c2cn(C)nc2C)c1
InChIInChI=1S/C21H24N6/c1-13-8-7-9-17(10-13)27-21(19-12-26(6)23-16(19)4)14(2)20(24-27)18-11-25(5)22-15(18)3/h7-12H,1-6H3
InChIKeyKLTLGNQDJHLUAR-UHFFFAOYSA-N
XLogP3.91
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole?
The IUPAC name of 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole (CID 19588154) is 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole.
What is the SMILES notation for 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole?
The canonical SMILES for 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole is Cc1cccc(-n2nc(-c3cn(C)nc3C)c(C)c2-c2cn(C)nc2C)c1.
What is the InChIKey of 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole?
The InChIKey is KLTLGNQDJHLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-13-8-7-9-17(10-13)27-21(19-12-26(6)23-16(19)4)14(2)20(24-27)18-11-25(5)22-15(18)3/h7-12H,1-6H3.
What are the key properties of 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole?
3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole has a molecular weight of 360.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1-(3-methylphenyl)pyrazole is sourced from PubChem (CID 19588154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).