3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine

C15H21N3O — CID 105423805

IUPAC3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nn(C)cc1-c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-16-10-4-5-15-14(11-18(2)17-15)12-6-8-13(19-3)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyBWWHBSRMBQHKCH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.25
Rot. Bonds6

About 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine

3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine (PubChem CID 105423805) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
PubChem CID105423805
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nn(C)cc1-c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-16-10-4-5-15-14(11-18(2)17-15)12-6-8-13(19-3)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyBWWHBSRMBQHKCH-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine (CID 105423805) is 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine is CNCCCc1nn(C)cc1-c1ccc(OC)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine?
The InChIKey is BWWHBSRMBQHKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-10-4-5-15-14(11-18(2)17-15)12-6-8-13(19-3)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine?
3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 105423805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).