4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide

C12H10Cl3N3O — CID 891805

IUPAC4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl3N3O/c1-2-18-11(9(15)6-16-18)12(19)17-10-5-7(13)3-4-8(10)14/h3-6H,2H2,1H3,(H,17,19)
InChIKeyUGBQEMSWVDTYMP-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide

4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 891805) has the molecular formula C12H10Cl3N3O and a molecular weight of 318.59 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID891805
Molecular FormulaC12H10Cl3N3O
Molecular Weight318.59 g/mol
Exact Mass316.99
IUPAC Name4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl3N3O/c1-2-18-11(9(15)6-16-18)12(19)17-10-5-7(13)3-4-8(10)14/h3-6H,2H2,1H3,(H,17,19)
InChIKeyUGBQEMSWVDTYMP-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 739812
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CID 1511737
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CID 6464474
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CID 755207
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CID 755380
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CID 832064
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CID 891989
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CID 892997
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide (CID 891805) is 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is UGBQEMSWVDTYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O/c1-2-18-11(9(15)6-16-18)12(19)17-10-5-7(13)3-4-8(10)14/h3-6H,2H2,1H3,(H,17,19).
What are the key properties of 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide?
4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 318.59 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dichlorophenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 891805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).