(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine

C12H11F3N4 — CID 177051594

IUPAC(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine
SMILESN[C@H]1CCc2nn(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C12H11F3N4/c13-12(14,15)11-5-7(3-4-17-11)19-6-8-9(16)1-2-10(8)18-19/h3-6,9H,1-2,16H2/t9-/m0/s1
InChIKeyMYKDQFZVQAHCMF-VIFPVBQESA-N
MW268.24 g/mol
LogP2.23
Rot. Bonds1

About (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine

(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine (PubChem CID 177051594) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine.

Molecular Properties

Compound Name(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine
PubChem CID177051594
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine
SMILESN[C@H]1CCc2nn(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C12H11F3N4/c13-12(14,15)11-5-7(3-4-17-11)19-6-8-9(16)1-2-10(8)18-19/h3-6,9H,1-2,16H2/t9-/m0/s1
InChIKeyMYKDQFZVQAHCMF-VIFPVBQESA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
CID 177050146
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]pyrazole-5-carboxamide
CID 177050497
4-methylsulfonyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
CID 177050976
3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
CID 177050621
N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177051201
3-(1,1-difluoroethyl)-1-methyl-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177051292
2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 177050234
3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177051259
3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177050752
1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine
CID 134821905
2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 118517941
2-[2-(trifluoromethyl)-4-pyridinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;hydrochloride
CID 177050774

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine?
The IUPAC name of (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine (CID 177051594) is (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine.
What is the SMILES notation for (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine?
The canonical SMILES for (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine is N[C@H]1CCc2nn(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine?
The InChIKey is MYKDQFZVQAHCMF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)11-5-7(3-4-17-11)19-6-8-9(16)1-2-10(8)18-19/h3-6,9H,1-2,16H2/t9-/m0/s1.
What are the key properties of (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine?
(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine has a molecular weight of 268.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine is sourced from PubChem (CID 177051594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).