[3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine

C17H23N3 — CID 66644184

IUPAC[3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine
SMILESCc1ccc(C=Cn2nc(C(C)(C)C)cc2CN)cc1
InChIInChI=1S/C17H23N3/c1-13-5-7-14(8-6-13)9-10-20-15(12-18)11-16(19-20)17(2,3)4/h5-11H,12,18H2,1-4H3
InChIKeyCNTMWPSCDVZMSN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.58
Rot. Bonds3

About [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine

[3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine (PubChem CID 66644184) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine
PubChem CID66644184
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine
SMILESCc1ccc(C=Cn2nc(C(C)(C)C)cc2CN)cc1
InChIInChI=1S/C17H23N3/c1-13-5-7-14(8-6-13)9-10-20-15(12-18)11-16(19-20)17(2,3)4/h5-11H,12,18H2,1-4H3
InChIKeyCNTMWPSCDVZMSN-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine?
The IUPAC name of [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine (CID 66644184) is [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine?
The canonical SMILES for [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine is Cc1ccc(C=Cn2nc(C(C)(C)C)cc2CN)cc1.
What is the InChIKey of [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine?
The InChIKey is CNTMWPSCDVZMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-5-7-14(8-6-13)9-10-20-15(12-18)11-16(19-20)17(2,3)4/h5-11H,12,18H2,1-4H3.
What are the key properties of [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine?
[3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-1-[2-(4-methylphenyl)ethenyl]pyrazol-5-yl]methanamine is sourced from PubChem (CID 66644184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).