1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C16H23N3 — CID 115809298

IUPAC1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H23N3/c1-16(2,3)14-9-7-6-8-13(14)15(17-4)12-10-18-19(5)11-12/h6-11,15,17H,1-5H3
InChIKeyLBOKFPJIAJUGGR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115809298) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID115809298
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H23N3/c1-16(2,3)14-9-7-6-8-13(14)15(17-4)12-10-18-19(5)11-12/h6-11,15,17H,1-5H3
InChIKeyLBOKFPJIAJUGGR-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808315
N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
1-(2-ethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809291
1-(2,3-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485943
N-methyl-1-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708231
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 62688971
1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797532
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195113
N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43635857
1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114028295
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 115809298) is 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CNC(c1cnn(C)c1)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is LBOKFPJIAJUGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)14-9-7-6-8-13(14)15(17-4)12-10-18-19(5)11-12/h6-11,15,17H,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115809298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).