4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C17H20F2N4O2 — CID 4865186

IUPAC4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2c(F)cccc2F)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H20F2N4O2/c1-4-23-9-13(15(22-23)17(25)20-8-10(2)3)21-16(24)14-11(18)6-5-7-12(14)19/h5-7,9-10H,4,8H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyDOEKNGPHJAXJFY-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.82
Rot. Bonds6

About 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 4865186) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID4865186
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2c(F)cccc2F)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H20F2N4O2/c1-4-23-9-13(15(22-23)17(25)20-8-10(2)3)21-16(24)14-11(18)6-5-7-12(14)19/h5-7,9-10H,4,8H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyDOEKNGPHJAXJFY-UHFFFAOYSA-N
XLogP2.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 4865186) is 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)c2c(F)cccc2F)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is DOEKNGPHJAXJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-4-23-9-13(15(22-23)17(25)20-8-10(2)3)21-16(24)14-11(18)6-5-7-12(14)19/h5-7,9-10H,4,8H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4865186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).