(4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol

C8H11FN2O — CID 105434430

IUPAC(4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol
SMILESCC1(F)CCc2[nH]nc(CO)c21
InChIInChI=1S/C8H11FN2O/c1-8(9)3-2-5-7(8)6(4-12)11-10-5/h12H,2-4H2,1H3,(H,10,11)
InChIKeyZFSFNWYMLVFWFO-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.03
Rot. Bonds1

About (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol

(4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol (PubChem CID 105434430) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol
PubChem CID105434430
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name(4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol
SMILESCC1(F)CCc2[nH]nc(CO)c21
InChIInChI=1S/C8H11FN2O/c1-8(9)3-2-5-7(8)6(4-12)11-10-5/h12H,2-4H2,1H3,(H,10,11)
InChIKeyZFSFNWYMLVFWFO-UHFFFAOYSA-N
XLogP1.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 21787796
1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
CID 135304000
[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol
CID 163425053
(4S)-5-fluoro-5-methyl-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250442
5,6-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol;1,2,3-trifluorocyclohexane
CID 168250475
5,6-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol
CID 168250476
5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250506
(S)-5,5-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
CID 168250594
1,2-Difluorocyclohexane;5,6-difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol
CID 168250604
1,3-difluorocyclohexane;5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250656
5,5,6-trifluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazol-4-ol
CID 168250717
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
CID 172395389

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol?
The IUPAC name of (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol (CID 105434430) is (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol is CC1(F)CCc2[nH]nc(CO)c21.
What is the InChIKey of (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol?
The InChIKey is ZFSFNWYMLVFWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-8(9)3-2-5-7(8)6(4-12)11-10-5/h12H,2-4H2,1H3,(H,10,11).
What are the key properties of (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol?
(4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol has a molecular weight of 170.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol is sourced from PubChem (CID 105434430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).