1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

C16H23N3O2 — CID 115808111

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C16H23N3O2/c1-5-8-19-11-12(10-18-19)16(17-2)14-9-13(20-3)6-7-15(14)21-4/h6-7,9-11,16-17H,5,8H2,1-4H3
InChIKeyCBSMCLZONCLTHJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.62
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 115808111) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID115808111
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C16H23N3O2/c1-5-8-19-11-12(10-18-19)16(17-2)14-9-13(20-3)6-7-15(14)21-4/h6-7,9-11,16-17H,5,8H2,1-4H3
InChIKeyCBSMCLZONCLTHJ-UHFFFAOYSA-N
XLogP2.62
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827566
1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808315
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195113
N-methyl-1-(5-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 115807050
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
[(3-fluoro-4-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288596
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103609
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805232
N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105065275

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (CID 115808111) is 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)c2cc(OC)ccc2OC)cn1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is CBSMCLZONCLTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-8-19-11-12(10-18-19)16(17-2)14-9-13(20-3)6-7-15(14)21-4/h6-7,9-11,16-17H,5,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115808111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).