3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide

C13H14ClN3O3 — CID 115629999

IUPAC3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2[nH]ncc2C)cc(Cl)c1OC
InChIInChI=1S/C13H14ClN3O3/c1-7-6-15-17-12(7)16-13(18)8-4-9(14)11(20-3)10(5-8)19-2/h4-6H,1-3H3,(H2,15,16,17,18)
InChIKeyNNBMCOCIHIHQDX-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.64
Rot. Bonds4

About 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide

3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide (PubChem CID 115629999) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
PubChem CID115629999
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2[nH]ncc2C)cc(Cl)c1OC
InChIInChI=1S/C13H14ClN3O3/c1-7-6-15-17-12(7)16-13(18)8-4-9(14)11(20-3)10(5-8)19-2/h4-6H,1-3H3,(H2,15,16,17,18)
InChIKeyNNBMCOCIHIHQDX-UHFFFAOYSA-N
XLogP2.64
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927573
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide
CID 39133027
3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 46525451
3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 26576594
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide
CID 26120040
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide (CID 115629999) is 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide is COc1cc(C(=O)Nc2[nH]ncc2C)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is NNBMCOCIHIHQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-7-6-15-17-12(7)16-13(18)8-4-9(14)11(20-3)10(5-8)19-2/h4-6H,1-3H3,(H2,15,16,17,18).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 295.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 115629999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).