1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine

C13H16FN3 — CID 114219126

IUPAC1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc(C)n(C)n1
InChIInChI=1S/C13H16FN3/c1-9-8-12(16-17(9)3)13(15-2)10-4-6-11(14)7-5-10/h4-8,13,15H,1-3H3
InChIKeyJGRGXRIETGCWAK-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.18
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine

1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 114219126) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID114219126
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc(C)n(C)n1
InChIInChI=1S/C13H16FN3/c1-9-8-12(16-17(9)3)13(15-2)10-4-6-11(14)7-5-10/h4-8,13,15H,1-3H3
InChIKeyJGRGXRIETGCWAK-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine
CID 114255322
[(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 114220219
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105087852
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 114219334
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
CID 105088239
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine
CID 114219213
2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220171
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 114219126) is 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1cc(C)n(C)n1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is JGRGXRIETGCWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-8-12(16-17(9)3)13(15-2)10-4-6-11(14)7-5-10/h4-8,13,15H,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114219126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).