1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

C14H18FN3 — CID 63976399

IUPAC1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-3-10-18-13(8-9-17-18)14(16-2)11-6-4-5-7-12(11)15/h4-9,14,16H,3,10H2,1-2H3
InChIKeyVOYJDIJHYKBHSC-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 63976399) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID63976399
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-3-10-18-13(8-9-17-18)14(16-2)11-6-4-5-7-12(11)15/h4-9,14,16H,3,10H2,1-2H3
InChIKeyVOYJDIJHYKBHSC-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 81279266
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 105148183
1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857773
2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline
CID 105223752
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
1-(2-ethylpyrazol-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115858049
1-(4-chloro-2-methoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857351
1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857365
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857493
N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857601
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974493

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (CID 63976399) is 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(NC)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is VOYJDIJHYKBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-10-18-13(8-9-17-18)14(16-2)11-6-4-5-7-12(11)15/h4-9,14,16H,3,10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63976399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).