N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide

C6H6ClF2N3O — CID 130684951

IUPACN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide
SMILESCc1[nH]nc(NC(=O)C(F)F)c1Cl
InChIInChI=1S/C6H6ClF2N3O/c1-2-3(7)5(12-11-2)10-6(13)4(8)9/h4H,1H3,(H2,10,11,12,13)
InChIKeyVJTFCCWJMMKTAN-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.58
Rot. Bonds2

About N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide

N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide (PubChem CID 130684951) has the molecular formula C6H6ClF2N3O and a molecular weight of 209.58 g/mol. Its IUPAC name is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide
PubChem CID130684951
Molecular FormulaC6H6ClF2N3O
Molecular Weight209.58 g/mol
Exact Mass209.02
IUPAC NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide
SMILESCc1[nH]nc(NC(=O)C(F)F)c1Cl
InChIInChI=1S/C6H6ClF2N3O/c1-2-3(7)5(12-11-2)10-6(13)4(8)9/h4H,1H3,(H2,10,11,12,13)
InChIKeyVJTFCCWJMMKTAN-UHFFFAOYSA-N
XLogP1.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide (CID 130684951) is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide is Cc1[nH]nc(NC(=O)C(F)F)c1Cl.
What is the InChIKey of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide?
The InChIKey is VJTFCCWJMMKTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2N3O/c1-2-3(7)5(12-11-2)10-6(13)4(8)9/h4H,1H3,(H2,10,11,12,13).
What are the key properties of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide?
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide has a molecular weight of 209.58 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 130684951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).