[3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine

C14H19N3 — CID 82474207

IUPAC[3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCc1cc(C)c(C)c(-c2cc(CN)[nH]n2)c1C
InChIInChI=1S/C14H19N3/c1-8-5-9(2)11(4)14(10(8)3)13-6-12(7-15)16-17-13/h5-6H,7,15H2,1-4H3,(H,16,17)
InChIKeyFAJGICBQAZDYSV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.77
Rot. Bonds2

About [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine

[3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 82474207) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID82474207
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCc1cc(C)c(C)c(-c2cc(CN)[nH]n2)c1C
InChIInChI=1S/C14H19N3/c1-8-5-9(2)11(4)14(10(8)3)13-6-12(7-15)16-17-13/h5-6H,7,15H2,1-4H3,(H,16,17)
InChIKeyFAJGICBQAZDYSV-UHFFFAOYSA-N
XLogP2.77
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine (CID 82474207) is [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine is Cc1cc(C)c(C)c(-c2cc(CN)[nH]n2)c1C.
What is the InChIKey of [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is FAJGICBQAZDYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-8-5-9(2)11(4)14(10(8)3)13-6-12(7-15)16-17-13/h5-6H,7,15H2,1-4H3,(H,16,17).
What are the key properties of [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine?
[3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82474207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).