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

C7H9F2N3O — CID 103514030

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide
SMILESCc1n[nH]c(C)c1NC(=O)C(F)F
InChIInChI=1S/C7H9F2N3O/c1-3-5(4(2)12-11-3)10-7(13)6(8)9/h6H,1-2H3,(H,10,13)(H,11,12)
InChIKeyKYQVWHLLULWPTD-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.23
Rot. Bonds2

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide (PubChem CID 103514030) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide
PubChem CID103514030
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide
SMILESCc1n[nH]c(C)c1NC(=O)C(F)F
InChIInChI=1S/C7H9F2N3O/c1-3-5(4(2)12-11-3)10-7(13)6(8)9/h6H,1-2H3,(H,10,13)(H,11,12)
InChIKeyKYQVWHLLULWPTD-UHFFFAOYSA-N
XLogP1.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide (CID 103514030) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide is Cc1n[nH]c(C)c1NC(=O)C(F)F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide?
The InChIKey is KYQVWHLLULWPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-3-5(4(2)12-11-3)10-7(13)6(8)9/h6H,1-2H3,(H,10,13)(H,11,12).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide has a molecular weight of 189.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103514030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).