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

C11H11ClF3N5O — CID 19267933

IUPAC4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1c(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cnn1C
InChIInChI=1S/C11H11ClF3N5O/c1-5-6(4-16-19(5)2)17-10(21)8-7(12)9(11(13,14)15)20(3)18-8/h4H,1-3H3,(H,17,21)
InChIKeyQGTFVBXUXKJLMJ-UHFFFAOYSA-N
MW321.69 g/mol
LogP2.39
Rot. Bonds2

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

4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267933) has the molecular formula C11H11ClF3N5O and a molecular weight of 321.69 g/mol. Its IUPAC name is 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267933
Molecular FormulaC11H11ClF3N5O
Molecular Weight321.69 g/mol
Exact Mass321.06
IUPAC Name4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1c(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cnn1C
InChIInChI=1S/C11H11ClF3N5O/c1-5-6(4-16-19(5)2)17-10(21)8-7(12)9(11(13,14)15)20(3)18-8/h4H,1-3H3,(H,17,21)
InChIKeyQGTFVBXUXKJLMJ-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-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267933) is 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1c(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cnn1C.
What is the InChIKey of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is QGTFVBXUXKJLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5O/c1-5-6(4-16-19(5)2)17-10(21)8-7(12)9(11(13,14)15)20(3)18-8/h4H,1-3H3,(H,17,21).
What are the key properties of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-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-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).