difluoromethyl N-(1H-pyrazol-5-yl)carbamate

C5H5F2N3O2 — CID 170943610

IUPACdifluoromethyl N-(1H-pyrazol-5-yl)carbamate
SMILESO=C(Nc1ccn[nH]1)OC(F)F
InChIInChI=1S/C5H5F2N3O2/c6-4(7)12-5(11)9-3-1-2-8-10-3/h1-2,4H,(H2,8,9,10,11)
InChIKeyUBOHFGBEKCTVTK-UHFFFAOYSA-N
MW177.11 g/mol
LogP1.18
Rot. Bonds2

About difluoromethyl N-(1H-pyrazol-5-yl)carbamate

difluoromethyl N-(1H-pyrazol-5-yl)carbamate (PubChem CID 170943610) has the molecular formula C5H5F2N3O2 and a molecular weight of 177.11 g/mol. Its IUPAC name is difluoromethyl N-(1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Namedifluoromethyl N-(1H-pyrazol-5-yl)carbamate
PubChem CID170943610
Molecular FormulaC5H5F2N3O2
Molecular Weight177.11 g/mol
Exact Mass177.03
IUPAC Namedifluoromethyl N-(1H-pyrazol-5-yl)carbamate
SMILESO=C(Nc1ccn[nH]1)OC(F)F
InChIInChI=1S/C5H5F2N3O2/c6-4(7)12-5(11)9-3-1-2-8-10-3/h1-2,4H,(H2,8,9,10,11)
InChIKeyUBOHFGBEKCTVTK-UHFFFAOYSA-N
XLogP1.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of difluoromethyl N-(1H-pyrazol-5-yl)carbamate?
The IUPAC name of difluoromethyl N-(1H-pyrazol-5-yl)carbamate (CID 170943610) is difluoromethyl N-(1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for difluoromethyl N-(1H-pyrazol-5-yl)carbamate?
The canonical SMILES for difluoromethyl N-(1H-pyrazol-5-yl)carbamate is O=C(Nc1ccn[nH]1)OC(F)F.
What is the InChIKey of difluoromethyl N-(1H-pyrazol-5-yl)carbamate?
The InChIKey is UBOHFGBEKCTVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O2/c6-4(7)12-5(11)9-3-1-2-8-10-3/h1-2,4H,(H2,8,9,10,11).
What are the key properties of difluoromethyl N-(1H-pyrazol-5-yl)carbamate?
difluoromethyl N-(1H-pyrazol-5-yl)carbamate has a molecular weight of 177.11 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl N-(1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 170943610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).