3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C14H15Cl2N3O2 — CID 692931

IUPAC3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C14H15Cl2N3O2/c1-7-12(8(2)19(3)18-7)17-14(20)10-5-9(15)6-11(16)13(10)21-4/h5-6H,1-4H3,(H,17,20)
InChIKeyFMSVOANOHUEPOW-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.60
Rot. Bonds3

About 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 692931) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID692931
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C14H15Cl2N3O2/c1-7-12(8(2)19(3)18-7)17-14(20)10-5-9(15)6-11(16)13(10)21-4/h5-6H,1-4H3,(H,17,20)
InChIKeyFMSVOANOHUEPOW-UHFFFAOYSA-N
XLogP3.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 841893
(3,5-Dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 768297
(5-chloro-2-methoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 887689
5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 887885
5-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 842012
5-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-2-methoxybenzamide
CID 6873338
N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(difluoromethoxy)benzamide
CID 1000315
5-chloro-2-methoxy-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808028
5-chloro-2-methoxy-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 1223413
5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide
CID 19295766
5-chloro-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
CID 19297866
5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
CID 19324157

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 692931) is 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is FMSVOANOHUEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-7-12(8(2)19(3)18-7)17-14(20)10-5-9(15)6-11(16)13(10)21-4/h5-6H,1-4H3,(H,17,20).
What are the key properties of 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 328.20 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 692931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).