1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

C16H23N3 — CID 115857365

IUPAC1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1cc(C)cc(C)c1
InChIInChI=1S/C16H23N3/c1-5-8-19-15(6-7-18-19)16(17-4)14-10-12(2)9-13(3)11-14/h6-7,9-11,16-17H,5,8H2,1-4H3
InChIKeyOHHXXRDIIPJUEQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.22
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 115857365) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID115857365
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1cc(C)cc(C)c1
InChIInChI=1S/C16H23N3/c1-5-8-19-15(6-7-18-19)16(17-4)14-10-12(2)9-13(3)11-14/h6-7,9-11,16-17H,5,8H2,1-4H3
InChIKeyOHHXXRDIIPJUEQ-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 114330568
N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857326
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 81279266
N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144255
1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857773
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857493
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 105148183
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
[(2-methyl-4-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 106756554
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
1-(4-chloro-2-methoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857351

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (CID 115857365) is 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(NC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is OHHXXRDIIPJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-8-19-15(6-7-18-19)16(17-4)14-10-12(2)9-13(3)11-14/h6-7,9-11,16-17H,5,8H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115857365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).