3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine

C15H21N3O — CID 105423807

IUPAC3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(-c2cccc(OC)c2)cnn1C
InChIInChI=1S/C15H21N3O/c1-16-9-5-8-15-14(11-17-18(15)2)12-6-4-7-13(10-12)19-3/h4,6-7,10-11,16H,5,8-9H2,1-3H3
InChIKeyVHXAIACKHJASKN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.25
Rot. Bonds6

About 3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine

3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine (PubChem CID 105423807) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine
PubChem CID105423807
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(-c2cccc(OC)c2)cnn1C
InChIInChI=1S/C15H21N3O/c1-16-9-5-8-15-14(11-17-18(15)2)12-6-4-7-13(10-12)19-3/h4,6-7,10-11,16H,5,8-9H2,1-3H3
InChIKeyVHXAIACKHJASKN-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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Related Compounds

N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine
CID 105423631
N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine
CID 105424029
3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
CID 105423466
N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210316
5-(3-methoxyphenyl)-1-methylpyrazol-4-ol
CID 105456123
5-(3-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde
CID 83821629
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851877
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
CID 105423805
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785061
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine (CID 105423807) is 3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine is CNCCCc1c(-c2cccc(OC)c2)cnn1C.
What is the InChIKey of 3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is VHXAIACKHJASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-9-5-8-15-14(11-17-18(15)2)12-6-4-7-13(10-12)19-3/h4,6-7,10-11,16H,5,8-9H2,1-3H3.
What are the key properties of 3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine?
3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-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-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 105423807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).