N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide

C16H19F2N3O2 — CID 19472160

IUPACN-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2ccc(OC(F)F)cc2C)c1C
InChIInChI=1S/C16H19F2N3O2/c1-5-21-11(4)14(10(3)20-21)15(22)19-13-7-6-12(8-9(13)2)23-16(17)18/h6-8,16H,5H2,1-4H3,(H,19,22)
InChIKeyVTRYOIDVYOZBRZ-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.68
Rot. Bonds5

About N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide

N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 19472160) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
PubChem CID19472160
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC NameN-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2ccc(OC(F)F)cc2C)c1C
InChIInChI=1S/C16H19F2N3O2/c1-5-21-11(4)14(10(3)20-21)15(22)19-13-7-6-12(8-9(13)2)23-16(17)18/h6-8,16H,5H2,1-4H3,(H,19,22)
InChIKeyVTRYOIDVYOZBRZ-UHFFFAOYSA-N
XLogP3.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid
CID 119219348
N-[4-(difluoromethoxy)-2-methylphenyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557852
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
N-[4-(difluoromethoxy)-2-methylphenyl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516634
N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-tert-butyl-3,5-dimethylpyrazole-4-carboxamide
CID 71888890
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 35335727
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530598
1-ethyl-3,5-dimethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19472242
4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide
CID 4864770
5-chloro-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26246271
N-[4-(difluoromethoxy)-2-methylphenyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478445

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (CID 19472160) is N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)Nc2ccc(OC(F)F)cc2C)c1C.
What is the InChIKey of N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is VTRYOIDVYOZBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-5-21-11(4)14(10(3)20-21)15(22)19-13-7-6-12(8-9(13)2)23-16(17)18/h6-8,16H,5H2,1-4H3,(H,19,22).
What are the key properties of N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19472160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).