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

C9H13FN2O — CID 105441106

IUPAC(4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CCC2(C)F
InChIInChI=1S/C9H13FN2O/c1-9(10)4-3-7-8(9)6(5-13)11-12(7)2/h13H,3-5H2,1-2H3
InChIKeyATBKKYFQQAJBHX-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.04
Rot. Bonds1

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

(4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol (PubChem CID 105441106) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol
PubChem CID105441106
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CCC2(C)F
InChIInChI=1S/C9H13FN2O/c1-9(10)4-3-7-8(9)6(5-13)11-12(7)2/h13H,3-5H2,1-2H3
InChIKeyATBKKYFQQAJBHX-UHFFFAOYSA-N
XLogP1.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 90162237
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
9-(Difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol
CID 90167960
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-ol
CID 90167987
(5-Cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol
CID 118948990
2-(difluoromethyl)-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 146330882
1-[1,4-Dimethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 146874436
2-[5-Ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol
CID 151815406
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

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol?
The IUPAC name of (4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol (CID 105441106) is (4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol is Cn1nc(CO)c2c1CCC2(C)F.
What is the InChIKey of (4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol?
The InChIKey is ATBKKYFQQAJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(10)4-3-7-8(9)6(5-13)11-12(7)2/h13H,3-5H2,1-2H3.
What are the key properties of (4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol?
(4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol has a molecular weight of 184.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-yl)methanol is sourced from PubChem (CID 105441106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).