(4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol

C11H17FN2O — CID 105465992

IUPAC(4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol
SMILESCC(C)n1nc(CO)c2c1CCC2(C)F
InChIInChI=1S/C11H17FN2O/c1-7(2)14-9-4-5-11(3,12)10(9)8(6-15)13-14/h7,15H,4-6H2,1-3H3
InChIKeyHLRRRRWXHFMXAH-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.09
Rot. Bonds2

About (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol

(4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol (PubChem CID 105465992) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol
PubChem CID105465992
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name(4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol
SMILESCC(C)n1nc(CO)c2c1CCC2(C)F
InChIInChI=1S/C11H17FN2O/c1-7(2)14-9-4-5-11(3,12)10(9)8(6-15)13-14/h7,15H,4-6H2,1-3H3
InChIKeyHLRRRRWXHFMXAH-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(1,1-Difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
CID 90162071
3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 90162237
9-(Difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol
CID 90162781
1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-ol
CID 90162782
1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 90162790
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 90167572
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-ol
CID 90167987
2-(difluoromethyl)-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 146330882
1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol
CID 156476976
5,6-difluoro-1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-ol
CID 168250427
5-fluoro-1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 168250430
1-Cyclobutyl-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol;difluoro(methoxy)methane
CID 168250431

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol?
The IUPAC name of (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol (CID 105465992) is (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol is CC(C)n1nc(CO)c2c1CCC2(C)F.
What is the InChIKey of (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol?
The InChIKey is HLRRRRWXHFMXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7(2)14-9-4-5-11(3,12)10(9)8(6-15)13-14/h7,15H,4-6H2,1-3H3.
What are the key properties of (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol?
(4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol has a molecular weight of 212.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol is sourced from PubChem (CID 105465992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).