1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine

C14H19N3 — CID 62123849

IUPAC1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-n2nc(C)cc2C)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-7-13(9-15-4)5-6-14(10)17-12(3)8-11(2)16-17/h5-8,15H,9H2,1-4H3
InChIKeyBYPOEJHFLSHKEI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.52
Rot. Bonds3

About 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine

1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine (PubChem CID 62123849) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine
PubChem CID62123849
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-n2nc(C)cc2C)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-7-13(9-15-4)5-6-14(10)17-12(3)8-11(2)16-17/h5-8,15H,9H2,1-4H3
InChIKeyBYPOEJHFLSHKEI-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine (CID 62123849) is 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(-n2nc(C)cc2C)c(C)c1.
What is the InChIKey of 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is BYPOEJHFLSHKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-7-13(9-15-4)5-6-14(10)17-12(3)8-11(2)16-17/h5-8,15H,9H2,1-4H3.
What are the key properties of 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine?
1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 62123849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).