1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine

C16H23N3O — CID 114647720

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCCCn1ncc(OC)c1C(NC)c1cccc(C)c1
InChIInChI=1S/C16H23N3O/c1-5-9-19-16(14(20-4)11-18-19)15(17-3)13-8-6-7-12(2)10-13/h6-8,10-11,15,17H,5,9H2,1-4H3
InChIKeyZYNSZIXEIRKDPN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds6

About 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine

1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 114647720) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID114647720
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCCCn1ncc(OC)c1C(NC)c1cccc(C)c1
InChIInChI=1S/C16H23N3O/c1-5-9-19-16(14(20-4)11-18-19)15(17-3)13-8-6-7-12(2)10-13/h6-8,10-11,15,17H,5,9H2,1-4H3
InChIKeyZYNSZIXEIRKDPN-UHFFFAOYSA-N
XLogP2.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048904
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114651811
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 105048721
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
1-(3-bromo-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660093
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048863
3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105186646
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105042594
1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114659071
1-(3-bromo-4-methoxyphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041426
1-(4-methoxy-1-propylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105187148
1-(2-chloro-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114650267

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine (CID 114647720) is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine is CCCn1ncc(OC)c1C(NC)c1cccc(C)c1.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is ZYNSZIXEIRKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-9-19-16(14(20-4)11-18-19)15(17-3)13-8-6-7-12(2)10-13/h6-8,10-11,15,17H,5,9H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 114647720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).