5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide

C11H11F2N5O2 — CID 119051034

IUPAC5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(OC(F)F)n(C)n2)n1
InChIInChI=1S/C11H11F2N5O2/c1-6-3-4-14-11(15-6)16-9(19)7-5-8(18(2)17-7)20-10(12)13/h3-5,10H,1-2H3,(H,14,15,16,19)
InChIKeyVKNVPSSEJHOWGG-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.37
Rot. Bonds4

About 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide

5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide (PubChem CID 119051034) has the molecular formula C11H11F2N5O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide
PubChem CID119051034
Molecular FormulaC11H11F2N5O2
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(OC(F)F)n(C)n2)n1
InChIInChI=1S/C11H11F2N5O2/c1-6-3-4-14-11(15-6)16-9(19)7-5-8(18(2)17-7)20-10(12)13/h3-5,10H,1-2H3,(H,14,15,16,19)
InChIKeyVKNVPSSEJHOWGG-UHFFFAOYSA-N
XLogP1.37
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide (CID 119051034) is 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide is Cc1ccnc(NC(=O)c2cc(OC(F)F)n(C)n2)n1.
What is the InChIKey of 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide?
The InChIKey is VKNVPSSEJHOWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O2/c1-6-3-4-14-11(15-6)16-9(19)7-5-8(18(2)17-7)20-10(12)13/h3-5,10H,1-2H3,(H,14,15,16,19).
What are the key properties of 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide?
5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide has a molecular weight of 283.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 119051034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).