2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine

C12H10F3N3O — CID 171614663

IUPAC2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine
SMILESNc1ccc2c(c1)-c1nn(CC(F)(F)F)cc1CO2
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)6-18-4-7-5-19-10-2-1-8(16)3-9(10)11(7)17-18/h1-4H,5-6,16H2
InChIKeyQDENGUOFSCZVCQ-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.59
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine

2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine (PubChem CID 171614663) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine
PubChem CID171614663
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine
SMILESNc1ccc2c(c1)-c1nn(CC(F)(F)F)cc1CO2
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)6-18-4-7-5-19-10-2-1-8(16)3-9(10)11(7)17-18/h1-4H,5-6,16H2
InChIKeyQDENGUOFSCZVCQ-UHFFFAOYSA-N
XLogP2.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-Dihydro-1-benzofuran-5-yl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 2812807
N-(4-Ethoxyphenyl)-2-{8-methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 16010600
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43786831
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-N-(3-fluoro-4-methylphenyl)acetamide
CID 20880002
1-(2-Oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1,4-dihydrochromeno[4,3-c]pyrazole
CID 20880088
3-fluoro-4-((1-methyl-1H-pyrazol-4-yl)methoxy)aniline
CID 19627211
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 134792279
1,4-Dihydro-1-phenylchromeno[4,3-c]pyrazole
CID 15557593
Pyrazolo[1,5-c]benzo[e]-1,3-oxazine
CID 89253148
methyl chromeno[4,3-c]pyrazole-2(4H)-carboxylate
CID 1485806
4-[(1,5-dimethyl-1H-pyrazol-4-yl)methoxy]aniline
CID 19626857
4-((1-Ethyl-3-methyl-1H-pyrazol-4-yl)methoxy)aniline
CID 19626859

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine (CID 171614663) is 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine is Nc1ccc2c(c1)-c1nn(CC(F)(F)F)cc1CO2.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine?
The InChIKey is QDENGUOFSCZVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)6-18-4-7-5-19-10-2-1-8(16)3-9(10)11(7)17-18/h1-4H,5-6,16H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine?
2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine has a molecular weight of 269.23 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-4H-chromeno[4,3-c]pyrazol-8-amine is sourced from PubChem (CID 171614663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).