1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide

C10H11F2N5O2 — CID 54565766

IUPAC1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(N)=O)cnn1-c1cc(OC(F)F)n(C)n1
InChIInChI=1S/C10H11F2N5O2/c1-5-6(9(13)18)4-14-17(5)7-3-8(16(2)15-7)19-10(11)12/h3-4,10H,1-2H3,(H2,13,18)
InChIKeyZTRYGDOSXMTZEA-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.61
Rot. Bonds4

About 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide

1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 54565766) has the molecular formula C10H11F2N5O2 and a molecular weight of 271.23 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide
PubChem CID54565766
Molecular FormulaC10H11F2N5O2
Molecular Weight271.23 g/mol
Exact Mass271.09
IUPAC Name1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(N)=O)cnn1-c1cc(OC(F)F)n(C)n1
InChIInChI=1S/C10H11F2N5O2/c1-5-6(9(13)18)4-14-17(5)7-3-8(16(2)15-7)19-10(11)12/h3-4,10H,1-2H3,(H2,13,18)
InChIKeyZTRYGDOSXMTZEA-UHFFFAOYSA-N
XLogP0.61
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide (CID 54565766) is 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide is Cc1c(C(N)=O)cnn1-c1cc(OC(F)F)n(C)n1.
What is the InChIKey of 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is ZTRYGDOSXMTZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O2/c1-5-6(9(13)18)4-14-17(5)7-3-8(16(2)15-7)19-10(11)12/h3-4,10H,1-2H3,(H2,13,18).
What are the key properties of 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide?
1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 271.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 54565766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).