4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide

C6H6ClF2N3O2 — CID 174699104

IUPAC4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide
SMILESNC(=O)C1(OC(F)CF)N=NC=C1Cl
InChIInChI=1S/C6H6ClF2N3O2/c7-3-2-11-12-6(3,5(10)13)14-4(9)1-8/h2,4H,1H2,(H2,10,13)
InChIKeyHBNTWJMLFYGNCO-UHFFFAOYSA-N
MW225.58 g/mol
LogP1.00
Rot. Bonds4

About 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide

4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide (PubChem CID 174699104) has the molecular formula C6H6ClF2N3O2 and a molecular weight of 225.58 g/mol. Its IUPAC name is 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide
PubChem CID174699104
Molecular FormulaC6H6ClF2N3O2
Molecular Weight225.58 g/mol
Exact Mass225.01
IUPAC Name4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide
SMILESNC(=O)C1(OC(F)CF)N=NC=C1Cl
InChIInChI=1S/C6H6ClF2N3O2/c7-3-2-11-12-6(3,5(10)13)14-4(9)1-8/h2,4H,1H2,(H2,10,13)
InChIKeyHBNTWJMLFYGNCO-UHFFFAOYSA-N
XLogP1.00
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.58
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide (CID 174699104) is 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide is NC(=O)C1(OC(F)CF)N=NC=C1Cl.
What is the InChIKey of 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide?
The InChIKey is HBNTWJMLFYGNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2N3O2/c7-3-2-11-12-6(3,5(10)13)14-4(9)1-8/h2,4H,1H2,(H2,10,13).
What are the key properties of 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide?
4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide has a molecular weight of 225.58 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide is sourced from PubChem (CID 174699104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).