4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide

C12H10Cl2FN3O — CID 841370

IUPAC4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)nn1C
InChIInChI=1S/C12H10Cl2FN3O/c1-6-10(14)11(17-18(6)2)12(19)16-7-3-4-9(15)8(13)5-7/h3-5H,1-2H3,(H,16,19)
InChIKeyADCBUQOPATWGKJ-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.43
Rot. Bonds2

About 4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide

4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 841370) has the molecular formula C12H10Cl2FN3O and a molecular weight of 302.14 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID841370
Molecular FormulaC12H10Cl2FN3O
Molecular Weight302.14 g/mol
Exact Mass301.02
IUPAC Name4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)nn1C
InChIInChI=1S/C12H10Cl2FN3O/c1-6-10(14)11(17-18(6)2)12(19)16-7-3-4-9(15)8(13)5-7/h3-5H,1-2H3,(H,16,19)
InChIKeyADCBUQOPATWGKJ-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 841370) is 4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)nn1C.
What is the InChIKey of 4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ADCBUQOPATWGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O/c1-6-10(14)11(17-18(6)2)12(19)16-7-3-4-9(15)8(13)5-7/h3-5H,1-2H3,(H,16,19).
What are the key properties of 4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N-(3-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 302.14 g/mol, XLogP of 3.43, 2 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-4-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 841370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).