3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C15H18ClN3O3 — CID 30182001

IUPAC3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccnn2C(C)C)cc(Cl)c1OC
InChIInChI=1S/C15H18ClN3O3/c1-9(2)19-13(5-6-17-19)18-15(20)10-7-11(16)14(22-4)12(8-10)21-3/h5-9H,1-4H3,(H,18,20)
InChIKeyBPOAMEZLMFYOIU-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.39
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide

3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 30182001) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID30182001
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccnn2C(C)C)cc(Cl)c1OC
InChIInChI=1S/C15H18ClN3O3/c1-9(2)19-13(5-6-17-19)18-15(20)10-7-11(16)14(22-4)12(8-10)21-3/h5-9H,1-4H3,(H,18,20)
InChIKeyBPOAMEZLMFYOIU-UHFFFAOYSA-N
XLogP3.39
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide
CID 134014331
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 134062826
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43036788
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 30182001) is 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide is COc1cc(C(=O)Nc2ccnn2C(C)C)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is BPOAMEZLMFYOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-9(2)19-13(5-6-17-19)18-15(20)10-7-11(16)14(22-4)12(8-10)21-3/h5-9H,1-4H3,(H,18,20).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 323.78 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 30182001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).