N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide

C12H15F2N5O — CID 91653361

IUPACN-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(-n2ccnc2C)c1C(=O)NCC(F)F
InChIInChI=1S/C12H15F2N5O/c1-7-10(11(20)16-6-9(13)14)12(18(3)17-7)19-5-4-15-8(19)2/h4-5,9H,6H2,1-3H3,(H,16,20)
InChIKeyAGRKQYQEZDUQRU-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.22
Rot. Bonds4

About N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide

N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide (PubChem CID 91653361) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide
PubChem CID91653361
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(-n2ccnc2C)c1C(=O)NCC(F)F
InChIInChI=1S/C12H15F2N5O/c1-7-10(11(20)16-6-9(13)14)12(18(3)17-7)19-5-4-15-8(19)2/h4-5,9H,6H2,1-3H3,(H,16,20)
InChIKeyAGRKQYQEZDUQRU-UHFFFAOYSA-N
XLogP1.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide (CID 91653361) is N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide is Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide?
The InChIKey is AGRKQYQEZDUQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-7-10(11(20)16-6-9(13)14)12(18(3)17-7)19-5-4-15-8(19)2/h4-5,9H,6H2,1-3H3,(H,16,20).
What are the key properties of N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 91653361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).