4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H11ClF3N5O — CID 19346139

IUPAC4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C11H11ClF3N5O/c1-5-6(4-19(2)17-5)16-10(21)8-7(12)9(11(13,14)15)18-20(8)3/h4H,1-3H3,(H,16,21)
InChIKeyBXAFDZLBPYSMRN-UHFFFAOYSA-N
MW321.69 g/mol
LogP2.39
Rot. Bonds2

About 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19346139) has the molecular formula C11H11ClF3N5O and a molecular weight of 321.69 g/mol. Its IUPAC name is 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19346139
Molecular FormulaC11H11ClF3N5O
Molecular Weight321.69 g/mol
Exact Mass321.06
IUPAC Name4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C11H11ClF3N5O/c1-5-6(4-19(2)17-5)16-10(21)8-7(12)9(11(13,14)15)18-20(8)3/h4H,1-3H3,(H,16,21)
InChIKeyBXAFDZLBPYSMRN-UHFFFAOYSA-N
XLogP2.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19346139) is 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1nn(C)cc1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is BXAFDZLBPYSMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5O/c1-5-6(4-19(2)17-5)16-10(21)8-7(12)9(11(13,14)15)18-20(8)3/h4H,1-3H3,(H,16,21).
What are the key properties of 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 321.69 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-dimethylpyrazol-4-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19346139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).