1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide

C6H6F2N4O3 — CID 121374648

IUPAC1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide
SMILESCNC(=O)c1cc([N+](=O)[O-])nn1C(F)F
InChIInChI=1S/C6H6F2N4O3/c1-9-5(13)3-2-4(12(14)15)10-11(3)6(7)8/h2,6H,1H3,(H,9,13)
InChIKeyMZCHNWPFPWDCHI-UHFFFAOYSA-N
MW220.14 g/mol
LogP0.55
Rot. Bonds3

About 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide

1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide (PubChem CID 121374648) has the molecular formula C6H6F2N4O3 and a molecular weight of 220.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide
PubChem CID121374648
Molecular FormulaC6H6F2N4O3
Molecular Weight220.14 g/mol
Exact Mass220.04
IUPAC Name1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide
SMILESCNC(=O)c1cc([N+](=O)[O-])nn1C(F)F
InChIInChI=1S/C6H6F2N4O3/c1-9-5(13)3-2-4(12(14)15)10-11(3)6(7)8/h2,6H,1H3,(H,9,13)
InChIKeyMZCHNWPFPWDCHI-UHFFFAOYSA-N
XLogP0.55
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(difluoromethyl)-N-methyl-3-nitropyrazole-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-Nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 131139094
3-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide hydrochloride
CID 137951302
3-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 77230979
3-amino-1-(difluoromethyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 117854549
1-(Difluoromethyl)-3-nitro-N-3-oxetanyl-1H-pyrazole-5-carboxamide
CID 121374861
5-amino-N-tert-butyl-2-(difluoromethyl)pyrazole-3-carboxamide
CID 121383934
3-amino-1-(2,2-difluoroethyl)-N,N-dimethylpyrazole-5-carboxamide
CID 141293296
5-amino-2-(2,2-difluoroethyl)-N-methyl-pyrazole-3-carboxamide
CID 145427758
(4,4-Difluoropiperidin-1-yl)-(1-methyl-5-nitropyrazol-3-yl)methanone
CID 145428054
(4,4-Difluoropiperidin-1-yl)-(2-methyl-5-nitropyrazol-3-yl)methanone
CID 145428275
2-(2,2-difluoroethyl)-N-methyl-5-nitropyrazole-3-carboxamide
CID 153281544
5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 162759828

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide (CID 121374648) is 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide is CNC(=O)c1cc([N+](=O)[O-])nn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide?
The InChIKey is MZCHNWPFPWDCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N4O3/c1-9-5(13)3-2-4(12(14)15)10-11(3)6(7)8/h2,6H,1H3,(H,9,13).
What are the key properties of 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide?
1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide has a molecular weight of 220.14 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-methyl-3-nitropyrazole-5-carboxamide is sourced from PubChem (CID 121374648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).