(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine

C13H16FN3 — CID 102803513

IUPAC(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1cn(C)nc1C
InChIInChI=1S/C13H16FN3/c1-8-4-5-10(14)6-11(8)13(15)12-7-17(3)16-9(12)2/h4-7,13H,15H2,1-3H3
InChIKeyMVEVDHYCHGETPE-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.22
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine

(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 102803513) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID102803513
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1cn(C)nc1C
InChIInChI=1S/C13H16FN3/c1-8-4-5-10(14)6-11(8)13(15)12-7-17(3)16-9(12)2/h4-7,13H,15H2,1-3H3
InChIKeyMVEVDHYCHGETPE-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803075
(1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 102804395
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115852060
(5-fluoro-2-methylphenyl)-pyrimidin-5-ylmethanamine
CID 62492228
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 65191944
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 102803479
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine (CID 102803513) is (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)c1cn(C)nc1C.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is MVEVDHYCHGETPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-8-4-5-10(14)6-11(8)13(15)12-7-17(3)16-9(12)2/h4-7,13H,15H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine?
(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 102803513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).