N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide

C15H17Cl2N3O2 — CID 134049613

IUPACN-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
SMILESCCC(C)n1nccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3O2/c1-4-9(2)20-13(5-6-18-20)19-15(21)10-7-11(16)14(22-3)12(17)8-10/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyLHRQYLNFUNBXPM-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.42
Rot. Bonds5

About N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide

N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide (PubChem CID 134049613) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
PubChem CID134049613
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
SMILESCCC(C)n1nccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3O2/c1-4-9(2)20-13(5-6-18-20)19-15(21)10-7-11(16)14(22-3)12(17)8-10/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyLHRQYLNFUNBXPM-UHFFFAOYSA-N
XLogP4.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182001
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide
CID 134014331
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
N-(2-butan-2-ylpyrazol-3-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78778466
N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 78829285

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide (CID 134049613) is N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide is CCC(C)n1nccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide?
The InChIKey is LHRQYLNFUNBXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-4-9(2)20-13(5-6-18-20)19-15(21)10-7-11(16)14(22-3)12(17)8-10/h5-9H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide?
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide has a molecular weight of 342.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 134049613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).