2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

C17H25N3 — CID 62113495

IUPAC2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2cc(CNC(C)(C)C)[nH]n2)c(C)c1
InChIInChI=1S/C17H25N3/c1-11-7-12(2)16(13(3)8-11)15-9-14(19-20-15)10-18-17(4,5)6/h7-9,18H,10H2,1-6H3,(H,19,20)
InChIKeyGGGUKIQQDLKWJM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.89
Rot. Bonds3

About 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (PubChem CID 62113495) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
PubChem CID62113495
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2cc(CNC(C)(C)C)[nH]n2)c(C)c1
InChIInChI=1S/C17H25N3/c1-11-7-12(2)16(13(3)8-11)15-9-14(19-20-15)10-18-17(4,5)6/h7-9,18H,10H2,1-6H3,(H,19,20)
InChIKeyGGGUKIQQDLKWJM-UHFFFAOYSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (CID 62113495) is 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is Cc1cc(C)c(-c2cc(CNC(C)(C)C)[nH]n2)c(C)c1.
What is the InChIKey of 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The InChIKey is GGGUKIQQDLKWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11-7-12(2)16(13(3)8-11)15-9-14(19-20-15)10-18-17(4,5)6/h7-9,18H,10H2,1-6H3,(H,19,20).
What are the key properties of 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62113495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).