3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

C6H7FN2 — CID 163788791

IUPAC3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESFc1n[nH]c2c1CCC2
InChIInChI=1S/C6H7FN2/c7-6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)
InChIKeyMUWNSYIPQQJLHD-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.04
Rot. Bonds

About 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (PubChem CID 163788791) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
PubChem CID163788791
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESFc1n[nH]c2c1CCC2
InChIInChI=1S/C6H7FN2/c7-6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)
InChIKeyMUWNSYIPQQJLHD-UHFFFAOYSA-N
XLogP1.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 59820661
3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 19616684
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile
CID 23135139
N-tert-butyl-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazol-3-amine
CID 63531625
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride
CID 86812428
N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
CID 63048851
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 11159621
3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride
CID 138039911
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine
CID 83845823
3-(trichloromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
CID 11032853
3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 169337120

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The IUPAC name of 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (CID 163788791) is 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
What is the SMILES notation for 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The canonical SMILES for 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is Fc1n[nH]c2c1CCC2.
What is the InChIKey of 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The InChIKey is MUWNSYIPQQJLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c7-6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9).
What are the key properties of 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole has a molecular weight of 126.13 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is sourced from PubChem (CID 163788791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).