1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine

C13H17N3 — CID 82236033

IUPAC1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cn[nH]c2)c(C)c1
InChIInChI=1S/C13H17N3/c1-8-4-9(2)12(10(3)5-8)13(14)11-6-15-16-7-11/h4-7,13H,14H2,1-3H3,(H,15,16)
InChIKeyNUABXJBPZVXTAZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.38
Rot. Bonds2

About 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine

1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine (PubChem CID 82236033) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine
PubChem CID82236033
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cn[nH]c2)c(C)c1
InChIInChI=1S/C13H17N3/c1-8-4-9(2)12(10(3)5-8)13(14)11-6-15-16-7-11/h4-7,13H,14H2,1-3H3,(H,15,16)
InChIKeyNUABXJBPZVXTAZ-UHFFFAOYSA-N
XLogP2.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine (CID 82236033) is 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cn[nH]c2)c(C)c1.
What is the InChIKey of 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is NUABXJBPZVXTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8-4-9(2)12(10(3)5-8)13(14)11-6-15-16-7-11/h4-7,13H,14H2,1-3H3,(H,15,16).
What are the key properties of 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine?
1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 82236033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).