3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide

C13H13Cl2N3O2 — CID 43546454

IUPAC3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C13H13Cl2N3O2/c1-6-11(7(2)18-17-6)16-13(19)8-4-9(14)12(20-3)10(15)5-8/h4-5H,1-3H3,(H,16,19)(H,17,18)
InChIKeyKIMKEVVVTZPMEO-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.59
Rot. Bonds3

About 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide

3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide (PubChem CID 43546454) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide
PubChem CID43546454
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C13H13Cl2N3O2/c1-6-11(7(2)18-17-6)16-13(19)8-4-9(14)12(20-3)10(15)5-8/h4-5H,1-3H3,(H,16,19)(H,17,18)
InChIKeyKIMKEVVVTZPMEO-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide
CID 81090898
3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 113286216
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
CID 78995321
3-chloro-4,5-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927573
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 115629999
3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9366541
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide (CID 43546454) is 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2c(C)n[nH]c2C)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide?
The InChIKey is KIMKEVVVTZPMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-6-11(7(2)18-17-6)16-13(19)8-4-9(14)12(20-3)10(15)5-8/h4-5H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide?
3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide has a molecular weight of 314.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 43546454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).