N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine

C13H17N3 — CID 105469038

IUPACN-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine
SMILESCNC(C)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C13H17N3/c1-10(14-2)12-9-13(16(3)15-12)11-7-5-4-6-8-11/h4-10,14H,1-3H3
InChIKeyIHGKZCJGJCWEML-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine

N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine (PubChem CID 105469038) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine
PubChem CID105469038
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine
SMILESCNC(C)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C13H17N3/c1-10(14-2)12-9-13(16(3)15-12)11-7-5-4-6-8-11/h4-10,14H,1-3H3
InChIKeyIHGKZCJGJCWEML-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid
CID 105488006
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813006
N,1-dimethyl-5-(4-methylphenyl)pyrazol-3-amine
CID 116827378
1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine
CID 105467000
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972
1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813110
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126967265
4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile
CID 143438272

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine (CID 105469038) is N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine is CNC(C)c1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine?
The InChIKey is IHGKZCJGJCWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(14-2)12-9-13(16(3)15-12)11-7-5-4-6-8-11/h4-10,14H,1-3H3.
What are the key properties of N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine?
N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105469038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).