4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide

C16H19F2N3O3 — CID 4864770

IUPAC4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1C
InChIInChI=1S/C16H19F2N3O3/c1-5-21-10(3)14(9(2)20-21)19-15(22)11-6-7-12(24-16(17)18)13(8-11)23-4/h6-8,16H,5H2,1-4H3,(H,19,22)
InChIKeyACIODFZECTUGMQ-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.38
Rot. Bonds6

About 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide

4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide (PubChem CID 4864770) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide
PubChem CID4864770
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1C
InChIInChI=1S/C16H19F2N3O3/c1-5-21-10(3)14(9(2)20-21)19-15(22)11-6-7-12(24-16(17)18)13(8-11)23-4/h6-8,16H,5H2,1-4H3,(H,19,22)
InChIKeyACIODFZECTUGMQ-UHFFFAOYSA-N
XLogP3.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406723
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 4246879
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19341334
methyl 2-[[4-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406768
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19393849
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 7919835
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide
CID 19462618

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide (CID 4864770) is 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide is CCn1nc(C)c(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1C.
What is the InChIKey of 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide?
The InChIKey is ACIODFZECTUGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-5-21-10(3)14(9(2)20-21)19-15(22)11-6-7-12(24-16(17)18)13(8-11)23-4/h6-8,16H,5H2,1-4H3,(H,19,22).
What are the key properties of 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide?
4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide has a molecular weight of 339.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide is sourced from PubChem (CID 4864770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).