N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide

C11H7F2N3O3 — CID 47177474

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccn[nH]1
InChIInChI=1S/C11H7F2N3O3/c12-11(13)18-8-2-1-6(5-9(8)19-11)15-10(17)7-3-4-14-16-7/h1-5H,(H,14,16)(H,15,17)
InChIKeyMCPZBYRPCVYITI-UHFFFAOYSA-N
MW267.19 g/mol
LogP1.98
Rot. Bonds2

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide (PubChem CID 47177474) has the molecular formula C11H7F2N3O3 and a molecular weight of 267.19 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
PubChem CID47177474
Molecular FormulaC11H7F2N3O3
Molecular Weight267.19 g/mol
Exact Mass267.05
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccn[nH]1
InChIInChI=1S/C11H7F2N3O3/c12-11(13)18-8-2-1-6(5-9(8)19-11)15-10(17)7-3-4-14-16-7/h1-5H,(H,14,16)(H,15,17)
InChIKeyMCPZBYRPCVYITI-UHFFFAOYSA-N
XLogP1.98
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 103752062
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807870
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
3-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 107517736
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 18204016
N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 571626
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide
CID 25341668
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfonylbenzamide
CID 26954321
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
CID 26954340
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43400509

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide (CID 47177474) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccn[nH]1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is MCPZBYRPCVYITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O3/c12-11(13)18-8-2-1-6(5-9(8)19-11)15-10(17)7-3-4-14-16-7/h1-5H,(H,14,16)(H,15,17).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 267.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47177474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).