[2-(difluoromethyl)pyrazol-3-yl]carbamic acid

C5H5F2N3O2 — CID 130424109

IUPAC[2-(difluoromethyl)pyrazol-3-yl]carbamic acid
SMILESO=C(O)Nc1ccnn1C(F)F
InChIInChI=1S/C5H5F2N3O2/c6-4(7)10-3(1-2-8-10)9-5(11)12/h1-2,4,9H,(H,11,12)
InChIKeyXXFWPVSHHQGSGS-UHFFFAOYSA-N
MW177.11 g/mol
LogP1.37
Rot. Bonds2

About [2-(difluoromethyl)pyrazol-3-yl]carbamic acid

[2-(difluoromethyl)pyrazol-3-yl]carbamic acid (PubChem CID 130424109) has the molecular formula C5H5F2N3O2 and a molecular weight of 177.11 g/mol. Its IUPAC name is [2-(difluoromethyl)pyrazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[2-(difluoromethyl)pyrazol-3-yl]carbamic acid
PubChem CID130424109
Molecular FormulaC5H5F2N3O2
Molecular Weight177.11 g/mol
Exact Mass177.03
IUPAC Name[2-(difluoromethyl)pyrazol-3-yl]carbamic acid
SMILESO=C(O)Nc1ccnn1C(F)F
InChIInChI=1S/C5H5F2N3O2/c6-4(7)10-3(1-2-8-10)9-5(11)12/h1-2,4,9H,(H,11,12)
InChIKeyXXFWPVSHHQGSGS-UHFFFAOYSA-N
XLogP1.37
TPSA67.15 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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]carbamic acid?
The IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]carbamic acid (CID 130424109) is [2-(difluoromethyl)pyrazol-3-yl]carbamic acid.
What is the SMILES notation for [2-(difluoromethyl)pyrazol-3-yl]carbamic acid?
The canonical SMILES for [2-(difluoromethyl)pyrazol-3-yl]carbamic acid is O=C(O)Nc1ccnn1C(F)F.
What is the InChIKey of [2-(difluoromethyl)pyrazol-3-yl]carbamic acid?
The InChIKey is XXFWPVSHHQGSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O2/c6-4(7)10-3(1-2-8-10)9-5(11)12/h1-2,4,9H,(H,11,12).
What are the key properties of [2-(difluoromethyl)pyrazol-3-yl]carbamic acid?
[2-(difluoromethyl)pyrazol-3-yl]carbamic acid has a molecular weight of 177.11 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)pyrazol-3-yl]carbamic acid is sourced from PubChem (CID 130424109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).