1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide

C10H10F2N6O3 — CID 4765915

IUPAC1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide
SMILESCc1nn(C(F)F)c(C)c1C(=O)Nn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H10F2N6O3/c1-5-8(6(2)17(14-5)10(11)12)9(19)15-16-4-7(3-13-16)18(20)21/h3-4,10H,1-2H3,(H,15,19)
InChIKeyVWEUODWFZHILNV-UHFFFAOYSA-N
MW300.23 g/mol
LogP1.38
Rot. Bonds4

About 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide

1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide (PubChem CID 4765915) has the molecular formula C10H10F2N6O3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide
PubChem CID4765915
Molecular FormulaC10H10F2N6O3
Molecular Weight300.23 g/mol
Exact Mass300.08
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide
SMILESCc1nn(C(F)F)c(C)c1C(=O)Nn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H10F2N6O3/c1-5-8(6(2)17(14-5)10(11)12)9(19)15-16-4-7(3-13-16)18(20)21/h3-4,10H,1-2H3,(H,15,19)
InChIKeyVWEUODWFZHILNV-UHFFFAOYSA-N
XLogP1.38
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide (CID 4765915) is 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide is Cc1nn(C(F)F)c(C)c1C(=O)Nn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide?
The InChIKey is VWEUODWFZHILNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N6O3/c1-5-8(6(2)17(14-5)10(11)12)9(19)15-16-4-7(3-13-16)18(20)21/h3-4,10H,1-2H3,(H,15,19).
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide?
1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide has a molecular weight of 300.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-N-(4-nitropyrazol-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 4765915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).