5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide

C8H9F2N7O2 — CID 154786392

IUPAC5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nnnn2C)cc1OC(F)F
InChIInChI=1S/C8H9F2N7O2/c1-16-5(19-7(9)10)3-4(13-16)6(18)11-8-12-14-15-17(8)2/h3,7H,1-2H3,(H,11,12,15,18)
InChIKeyHFZFMVJROWANKU-UHFFFAOYSA-N
MW273.20 g/mol
LogP-0.20
Rot. Bonds4

About 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide

5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide (PubChem CID 154786392) has the molecular formula C8H9F2N7O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide
PubChem CID154786392
Molecular FormulaC8H9F2N7O2
Molecular Weight273.20 g/mol
Exact Mass273.08
IUPAC Name5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nnnn2C)cc1OC(F)F
InChIInChI=1S/C8H9F2N7O2/c1-16-5(19-7(9)10)3-4(13-16)6(18)11-8-12-14-15-17(8)2/h3,7H,1-2H3,(H,11,12,15,18)
InChIKeyHFZFMVJROWANKU-UHFFFAOYSA-N
XLogP-0.20
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide (CID 154786392) is 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2nnnn2C)cc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is HFZFMVJROWANKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N7O2/c1-16-5(19-7(9)10)3-4(13-16)6(18)11-8-12-14-15-17(8)2/h3,7H,1-2H3,(H,11,12,15,18).
What are the key properties of 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide?
5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 273.20 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methyl-N-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 154786392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).