1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

C15H20FN3 — CID 81279266

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1ccc(F)cc1C
InChIInChI=1S/C15H20FN3/c1-4-9-19-14(7-8-18-19)15(17-3)13-6-5-12(16)10-11(13)2/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyFJRVQVXERRMZJR-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.05
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 81279266) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID81279266
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1ccc(F)cc1C
InChIInChI=1S/C15H20FN3/c1-4-9-19-14(7-8-18-19)15(17-3)13-6-5-12(16)10-11(13)2/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyFJRVQVXERRMZJR-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81276228
N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63976817
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399
1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114659071
1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857365
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 114330568
1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857773
N-[(2-bromo-5-fluorophenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857698
1-(4-chloro-2-methoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857351
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 105148183
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (CID 81279266) is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(NC)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is FJRVQVXERRMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-9-19-14(7-8-18-19)15(17-3)13-6-5-12(16)10-11(13)2/h5-8,10,15,17H,4,9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 261.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 81279266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).