1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine

C8H11F2N3 — CID 105442454

IUPAC1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCCn1nc(N)c2c1CCC2(F)F
InChIInChI=1S/C8H11F2N3/c1-2-13-5-3-4-8(9,10)6(5)7(11)12-13/h2-4H2,1H3,(H2,11,12)
InChIKeyGXDXAKAICWHDQT-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.52
Rot. Bonds1

About 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine

1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine (PubChem CID 105442454) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine
PubChem CID105442454
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCCn1nc(N)c2c1CCC2(F)F
InChIInChI=1S/C8H11F2N3/c1-2-13-5-3-4-8(9,10)6(5)7(11)12-13/h2-4H2,1H3,(H2,11,12)
InChIKeyGXDXAKAICWHDQT-UHFFFAOYSA-N
XLogP1.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mls002707355
CID 276384
2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine
CID 16227065
3-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]propan-1-amine
CID 19614695
Pyrazole, 5-amino-3-ethyl-1-isopropyl-4-methyl-
CID 210142
2-(propan-2-yl)-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine
CID 65348359
3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)propanenitrile
CID 25247413
5,5-difluoro-2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 165463441
3,4-Diethyl-1-methyl-1H-pyrazol-5-amine
CID 28064035
1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 122133050
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanesulfonamide
CID 127920482
1,4-dimethyl-3-(pentafluoroethyl)-1H-pyrazole-5-amine
CID 58542574
3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 90162060

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The IUPAC name of 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine (CID 105442454) is 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine is CCn1nc(N)c2c1CCC2(F)F.
What is the InChIKey of 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The InChIKey is GXDXAKAICWHDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-2-13-5-3-4-8(9,10)6(5)7(11)12-13/h2-4H2,1H3,(H2,11,12).
What are the key properties of 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine has a molecular weight of 187.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-difluoro-5,6-dihydrocyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 105442454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).