(4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine

C8H11F2N3 — CID 90385283

IUPAC(4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine
SMILESC[C@@H]1c2c(N)n[nH]c2C(F)(F)[C@@H]1C
InChIInChI=1S/C8H11F2N3/c1-3-4(2)8(9,10)6-5(3)7(11)13-12-6/h3-4H,1-2H3,(H3,11,12,13)/t3-,4+/m0/s1
InChIKeyKMWSCVDLVDGIOX-IUYQGCFVSA-N
MW187.19 g/mol
LogP1.84
Rot. Bonds

About (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine

(4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine (PubChem CID 90385283) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine.

Molecular Properties

Compound Name(4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine
PubChem CID90385283
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name(4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine
SMILESC[C@@H]1c2c(N)n[nH]c2C(F)(F)[C@@H]1C
InChIInChI=1S/C8H11F2N3/c1-3-4(2)8(9,10)6-5(3)7(11)13-12-6/h3-4H,1-2H3,(H3,11,12,13)/t3-,4+/m0/s1
InChIKeyKMWSCVDLVDGIOX-IUYQGCFVSA-N
XLogP1.84
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine?
The IUPAC name of (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine (CID 90385283) is (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine.
What is the SMILES notation for (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine?
The canonical SMILES for (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine is C[C@@H]1c2c(N)n[nH]c2C(F)(F)[C@@H]1C.
What is the InChIKey of (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine?
The InChIKey is KMWSCVDLVDGIOX-IUYQGCFVSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-3-4(2)8(9,10)6-5(3)7(11)13-12-6/h3-4H,1-2H3,(H3,11,12,13)/t3-,4+/m0/s1.
What are the key properties of (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine?
(4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine has a molecular weight of 187.19 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine is sourced from PubChem (CID 90385283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).