methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate

C10H12F2N2O2 — CID 19616888

IUPACmethyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(C(F)F)c2c1CCC2
InChIInChI=1S/C10H12F2N2O2/c1-16-8(15)5-14-7-4-2-3-6(7)9(13-14)10(11)12/h10H,2-5H2,1H3
InChIKeyDPNFIUWLSAKCJD-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.48
Rot. Bonds3

About methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate

methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate (PubChem CID 19616888) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
PubChem CID19616888
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Namemethyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(C(F)F)c2c1CCC2
InChIInChI=1S/C10H12F2N2O2/c1-16-8(15)5-14-7-4-2-3-6(7)9(13-14)10(11)12/h10H,2-5H2,1H3
InChIKeyDPNFIUWLSAKCJD-UHFFFAOYSA-N
XLogP1.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate (CID 19616888) is methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate is COC(=O)Cn1nc(C(F)F)c2c1CCC2.
What is the InChIKey of methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
The InChIKey is DPNFIUWLSAKCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-16-8(15)5-14-7-4-2-3-6(7)9(13-14)10(11)12/h10H,2-5H2,1H3.
What are the key properties of methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate?
methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate has a molecular weight of 230.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetate is sourced from PubChem (CID 19616888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).