3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

C7H8F2N2 — CID 19616684

IUPAC3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESFC(F)c1n[nH]c2c1CCC2
InChIInChI=1S/C7H8F2N2/c8-7(9)6-4-2-1-3-5(4)10-11-6/h7H,1-3H2,(H,10,11)
InChIKeyMKIHPDJBJQHUDL-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.84
Rot. Bonds1

About 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (PubChem CID 19616684) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
PubChem CID19616684
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESFC(F)c1n[nH]c2c1CCC2
InChIInChI=1S/C7H8F2N2/c8-7(9)6-4-2-1-3-5(4)10-11-6/h7H,1-3H2,(H,10,11)
InChIKeyMKIHPDJBJQHUDL-UHFFFAOYSA-N
XLogP1.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
CID 82414484
3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 163788791
3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 59820661
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride
CID 86812428
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile
CID 23135139
4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
CID 84688417
3-(trichloromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
CID 11032853
7-(4-methylpent-2-en-3-yl)-3-propan-2-yl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
CID 123212870
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 11159621
N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
CID 63048851
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The IUPAC name of 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (CID 19616684) is 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is FC(F)c1n[nH]c2c1CCC2.
What is the InChIKey of 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The InChIKey is MKIHPDJBJQHUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c8-7(9)6-4-2-1-3-5(4)10-11-6/h7H,1-3H2,(H,10,11).
What are the key properties of 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole has a molecular weight of 158.15 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is sourced from PubChem (CID 19616684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).