1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine

C13H17N3 — CID 82237918

IUPAC1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCNC(c1cn[nH]c1)c1ccc(C)c(C)c1
InChIInChI=1S/C13H17N3/c1-9-4-5-11(6-10(9)2)13(14-3)12-7-15-16-8-12/h4-8,13-14H,1-3H3,(H,15,16)
InChIKeyKXKIEZWPROLVQO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.34
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine

1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine (PubChem CID 82237918) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine
PubChem CID82237918
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCNC(c1cn[nH]c1)c1ccc(C)c(C)c1
InChIInChI=1S/C13H17N3/c1-9-4-5-11(6-10(9)2)13(14-3)12-7-15-16-8-12/h4-8,13-14H,1-3H3,(H,15,16)
InChIKeyKXKIEZWPROLVQO-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine (CID 82237918) is 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine is CNC(c1cn[nH]c1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The InChIKey is KXKIEZWPROLVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-4-5-11(6-10(9)2)13(14-3)12-7-15-16-8-12/h4-8,13-14H,1-3H3,(H,15,16).
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 82237918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).