1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine

C15H21N3 — CID 66007870

IUPAC1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(-c2cn(C)nc2C)c1
InChIInChI=1S/C15H21N3/c1-5-15(16-3)13-8-6-7-12(9-13)14-10-18(4)17-11(14)2/h6-10,15-16H,5H2,1-4H3
InChIKeyMDQFJTZRVYFUOD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.07
Rot. Bonds4

About 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine

1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine (PubChem CID 66007870) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine
PubChem CID66007870
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(-c2cn(C)nc2C)c1
InChIInChI=1S/C15H21N3/c1-5-15(16-3)13-8-6-7-12(9-13)14-10-18(4)17-11(14)2/h6-10,15-16H,5H2,1-4H3
InChIKeyMDQFJTZRVYFUOD-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine (CID 66007870) is 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1cccc(-c2cn(C)nc2C)c1.
What is the InChIKey of 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine?
The InChIKey is MDQFJTZRVYFUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-15(16-3)13-8-6-7-12(9-13)14-10-18(4)17-11(14)2/h6-10,15-16H,5H2,1-4H3.
What are the key properties of 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine?
1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 66007870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).