N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine

C13H17N3 — CID 105469052

IUPACN-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cn[nH]c1-c1cccc(C)c1
InChIInChI=1S/C13H17N3/c1-9-5-4-6-11(7-9)13-12(8-15-16-13)10(2)14-3/h4-8,10,14H,1-3H3,(H,15,16)
InChIKeyMWNHJAZAJHZOLP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.67
Rot. Bonds3

About N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine

N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 105469052) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID105469052
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cn[nH]c1-c1cccc(C)c1
InChIInChI=1S/C13H17N3/c1-9-5-4-6-11(7-9)13-12(8-15-16-13)10(2)14-3/h4-8,10,14H,1-3H3,(H,15,16)
InChIKeyMWNHJAZAJHZOLP-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine (CID 105469052) is N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine is CNC(C)c1cn[nH]c1-c1cccc(C)c1.
What is the InChIKey of N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is MWNHJAZAJHZOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-5-4-6-11(7-9)13-12(8-15-16-13)10(2)14-3/h4-8,10,14H,1-3H3,(H,15,16).
What are the key properties of N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine?
N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 105469052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).