4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide

C13H13Cl2N3O — CID 19477154

IUPAC4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C13H13Cl2N3O/c1-3-18-12(10(15)7-16-18)13(19)17-11-6-4-5-9(14)8(11)2/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeySYUOIJXEAZCSQM-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.77
Rot. Bonds3

About 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide

4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 19477154) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID19477154
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C13H13Cl2N3O/c1-3-18-12(10(15)7-16-18)13(19)17-11-6-4-5-9(14)8(11)2/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeySYUOIJXEAZCSQM-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 841895
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551954
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide
CID 19477357
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide (CID 19477154) is 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is SYUOIJXEAZCSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-3-18-12(10(15)7-16-18)13(19)17-11-6-4-5-9(14)8(11)2/h4-7H,3H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide?
4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19477154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).