2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline

C12H14FN3 — CID 175313734

IUPAC2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline
SMILESCNc1cc(F)ccc1-c1cn(C)nc1C
InChIInChI=1S/C12H14FN3/c1-8-11(7-16(3)15-8)10-5-4-9(13)6-12(10)14-2/h4-7,14H,1-3H3
InChIKeyUFMCLVRHQHTLNU-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.58
Rot. Bonds2

About 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline

2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline (PubChem CID 175313734) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline
PubChem CID175313734
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline
SMILESCNc1cc(F)ccc1-c1cn(C)nc1C
InChIInChI=1S/C12H14FN3/c1-8-11(7-16(3)15-8)10-5-4-9(13)6-12(10)14-2/h4-7,14H,1-3H3
InChIKeyUFMCLVRHQHTLNU-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
CID 104781282
4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole
CID 71074470
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 83093937
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66008481
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
3-(1,3-dimethylpyrazol-4-yl)-6-fluoro-1H-indole;6-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)-1H-indole
CID 118064813
5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 102801648
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 112668570
3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole
CID 19588053
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trifluoroaniline
CID 83088722

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline (CID 175313734) is 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline is CNc1cc(F)ccc1-c1cn(C)nc1C.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline?
The InChIKey is UFMCLVRHQHTLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-11(7-16(3)15-8)10-5-4-9(13)6-12(10)14-2/h4-7,14H,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline?
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline has a molecular weight of 219.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline is sourced from PubChem (CID 175313734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).