4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide

C14H15Cl2N3O — CID 823293

IUPAC4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(C)c(C)c2)c(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-4-19-13(16)11(15)12(18-19)14(20)17-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,17,20)
InChIKeyYGGLDRRKWAWHQG-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.08
Rot. Bonds3

About 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide

4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 823293) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID823293
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(C)c(C)c2)c(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-4-19-13(16)11(15)12(18-19)14(20)17-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,17,20)
InChIKeyYGGLDRRKWAWHQG-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1231799
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
N-(4-{N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)cyclobutanecarboxamide
CID 5431096
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 6469501
N-(3,4-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084335
4,5-dichloro-1-ethyl-N-(2-methylphenyl)-1H-pyrazole-3-carboxamide
CID 823291
4,5-dichloro-1-ethyl-N-(1-naphthyl)-1H-pyrazole-3-carboxamide
CID 823296
4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-3-pyrazolecarboxamide
CID 844747
4-chloro-2-methyl-N-(3-methylphenyl)-5-propylpyrazole-3-carboxamide
CID 850817
4-chloro-N-(3-ethylphenyl)-2-methyl-5-propylpyrazole-3-carboxamide
CID 850844
4-chloro-N-(4-ethylphenyl)-2-methyl-5-propylpyrazole-3-carboxamide
CID 850847
4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1047269

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide (CID 823293) is 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide is CCn1nc(C(=O)Nc2ccc(C)c(C)c2)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is YGGLDRRKWAWHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-4-19-13(16)11(15)12(18-19)14(20)17-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,17,20).
What are the key properties of 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide?
4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 312.20 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 823293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).