1,4-bis(4-methylphenyl)pyrazole;methanamine

C18H21N3 — CID 153378123

IUPAC1,4-bis(4-methylphenyl)pyrazole;methanamine
SMILESCN.Cc1ccc(-c2cnn(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C17H16N2.CH5N/c1-13-3-7-15(8-4-13)16-11-18-19(12-16)17-9-5-14(2)6-10-17;1-2/h3-12H,1-2H3;2H2,1H3
InChIKeyTWBLPFFBUPAILU-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.73
Rot. Bonds2

About 1,4-bis(4-methylphenyl)pyrazole;methanamine

1,4-bis(4-methylphenyl)pyrazole;methanamine (PubChem CID 153378123) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)pyrazole;methanamine.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)pyrazole;methanamine
PubChem CID153378123
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1,4-bis(4-methylphenyl)pyrazole;methanamine
SMILESCN.Cc1ccc(-c2cnn(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C17H16N2.CH5N/c1-13-3-7-15(8-4-13)16-11-18-19(12-16)17-9-5-14(2)6-10-17;1-2/h3-12H,1-2H3;2H2,1H3
InChIKeyTWBLPFFBUPAILU-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)pyrazole;methanamine?
The IUPAC name of 1,4-bis(4-methylphenyl)pyrazole;methanamine (CID 153378123) is 1,4-bis(4-methylphenyl)pyrazole;methanamine.
What is the SMILES notation for 1,4-bis(4-methylphenyl)pyrazole;methanamine?
The canonical SMILES for 1,4-bis(4-methylphenyl)pyrazole;methanamine is CN.Cc1ccc(-c2cnn(-c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 1,4-bis(4-methylphenyl)pyrazole;methanamine?
The InChIKey is TWBLPFFBUPAILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2.CH5N/c1-13-3-7-15(8-4-13)16-11-18-19(12-16)17-9-5-14(2)6-10-17;1-2/h3-12H,1-2H3;2H2,1H3.
What are the key properties of 1,4-bis(4-methylphenyl)pyrazole;methanamine?
1,4-bis(4-methylphenyl)pyrazole;methanamine has a molecular weight of 279.39 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)pyrazole;methanamine is sourced from PubChem (CID 153378123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).