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

C14H19N3 — CID 114990796

IUPAC1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2ccn[nH]2)c1C
InChIInChI=1S/C14H19N3/c1-8-7-9(2)11(4)13(10(8)3)14(15)12-5-6-16-17-12/h5-7,14H,15H2,1-4H3,(H,16,17)
InChIKeyUXUSBHXUAJHCTD-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.69
Rot. Bonds2

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

1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 114990796) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID114990796
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2ccn[nH]2)c1C
InChIInChI=1S/C14H19N3/c1-8-7-9(2)11(4)13(10(8)3)14(15)12-5-6-16-17-12/h5-7,14H,15H2,1-4H3,(H,16,17)
InChIKeyUXUSBHXUAJHCTD-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of 1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine (CID 114990796) is 1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for 1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for 1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine is Cc1cc(C)c(C)c(C(N)c2ccn[nH]2)c1C.
What is the InChIKey of 1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is UXUSBHXUAJHCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-8-7-9(2)11(4)13(10(8)3)14(15)12-5-6-16-17-12/h5-7,14H,15H2,1-4H3,(H,16,17).
What are the key properties of 1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine?
1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 114990796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).