[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid

C6H7F2N3O3 — CID 135305880

IUPAC[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid
SMILESCn1cc(NC(=O)O)c(OC(F)F)n1
InChIInChI=1S/C6H7F2N3O3/c1-11-2-3(9-6(12)13)4(10-11)14-5(7)8/h2,5,9H,1H3,(H,12,13)
InChIKeyQNPMKQRHACHWBH-UHFFFAOYSA-N
MW207.14 g/mol
LogP1.11
Rot. Bonds3

About [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid

[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid (PubChem CID 135305880) has the molecular formula C6H7F2N3O3 and a molecular weight of 207.14 g/mol. Its IUPAC name is [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid
PubChem CID135305880
Molecular FormulaC6H7F2N3O3
Molecular Weight207.14 g/mol
Exact Mass207.05
IUPAC Name[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid
SMILESCn1cc(NC(=O)O)c(OC(F)F)n1
InChIInChI=1S/C6H7F2N3O3/c1-11-2-3(9-6(12)13)4(10-11)14-5(7)8/h2,5,9H,1H3,(H,12,13)
InChIKeyQNPMKQRHACHWBH-UHFFFAOYSA-N
XLogP1.11
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid?
The IUPAC name of [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid (CID 135305880) is [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid.
What is the SMILES notation for [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid?
The canonical SMILES for [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid is Cn1cc(NC(=O)O)c(OC(F)F)n1.
What is the InChIKey of [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid?
The InChIKey is QNPMKQRHACHWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O3/c1-11-2-3(9-6(12)13)4(10-11)14-5(7)8/h2,5,9H,1H3,(H,12,13).
What are the key properties of [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid?
[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid has a molecular weight of 207.14 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid is sourced from PubChem (CID 135305880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).