[4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate

C11H15F2N3O2 — CID 175105213

IUPAC[4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C11H15F2N3O2/c12-10(13)16-6-5-9(15-16)7-1-3-8(4-2-7)18-11(14)17/h5-8,10H,1-4H2,(H2,14,17)
InChIKeyZIQFNYXWWDMGRY-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.40
Rot. Bonds3

About [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate

[4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate (PubChem CID 175105213) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate
PubChem CID175105213
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name[4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C11H15F2N3O2/c12-10(13)16-6-5-9(15-16)7-1-3-8(4-2-7)18-11(14)17/h5-8,10H,1-4H2,(H2,14,17)
InChIKeyZIQFNYXWWDMGRY-UHFFFAOYSA-N
XLogP2.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate?
The IUPAC name of [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate (CID 175105213) is [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate.
What is the SMILES notation for [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate?
The canonical SMILES for [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate is NC(=O)OC1CCC(c2ccn(C(F)F)n2)CC1.
What is the InChIKey of [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate?
The InChIKey is ZIQFNYXWWDMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-10(13)16-6-5-9(15-16)7-1-3-8(4-2-7)18-11(14)17/h5-8,10H,1-4H2,(H2,14,17).
What are the key properties of [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate?
[4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate has a molecular weight of 259.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl] carbamate is sourced from PubChem (CID 175105213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).