N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide

C16H19F2N3O2 — CID 135117219

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
SMILESCCn1cc(CN(C)C(=O)c2c(OC)ccc(F)c2F)c(C)n1
InChIInChI=1S/C16H19F2N3O2/c1-5-21-9-11(10(2)19-21)8-20(3)16(22)14-13(23-4)7-6-12(17)15(14)18/h6-7,9H,5,8H2,1-4H3
InChIKeyBXAOBEPZRKPTHB-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.77
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide (PubChem CID 135117219) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
PubChem CID135117219
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
SMILESCCn1cc(CN(C)C(=O)c2c(OC)ccc(F)c2F)c(C)n1
InChIInChI=1S/C16H19F2N3O2/c1-5-21-9-11(10(2)19-21)8-20(3)16(22)14-13(23-4)7-6-12(17)15(14)18/h6-7,9H,5,8H2,1-4H3
InChIKeyBXAOBEPZRKPTHB-UHFFFAOYSA-N
XLogP2.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(5-methoxy-3-pyridinyl)-N-methylbenzamide
CID 121495383
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-N-methyl-2-[(2,3,6-trifluorophenyl)methylsulfanyl]-1H-imidazole-5-carboxamide
CID 123311517
1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278728
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278131
4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide
CID 19507734
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxy-N-methylbenzamide
CID 19454037
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478680
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278422
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
CID 91775502
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278358
N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methoxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 122172117

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide (CID 135117219) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide is CCn1cc(CN(C)C(=O)c2c(OC)ccc(F)c2F)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide?
The InChIKey is BXAOBEPZRKPTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-5-21-9-11(10(2)19-21)8-20(3)16(22)14-13(23-4)7-6-12(17)15(14)18/h6-7,9H,5,8H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide has a molecular weight of 323.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide is sourced from PubChem (CID 135117219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).