4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H13ClF3N7O — CID 90394601

IUPAC4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cn2)n(C)n1
InChIInChI=1S/C15H13ClF3N7O/c1-7-4-9(25(2)23-7)8-5-21-10(6-20-8)22-14(27)12-11(16)13(15(17,18)19)24-26(12)3/h4-6H,1-3H3,(H,21,22,27)
InChIKeyUOEZDKWSTIAFFB-UHFFFAOYSA-N
MW399.76 g/mol
LogP2.84
Rot. Bonds3

About 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 90394601) has the molecular formula C15H13ClF3N7O and a molecular weight of 399.76 g/mol. Its IUPAC name is 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID90394601
Molecular FormulaC15H13ClF3N7O
Molecular Weight399.76 g/mol
Exact Mass399.08
IUPAC Name4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(-c2cnc(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cn2)n(C)n1
InChIInChI=1S/C15H13ClF3N7O/c1-7-4-9(25(2)23-7)8-5-21-10(6-20-8)22-14(27)12-11(16)13(15(17,18)19)24-26(12)3/h4-6H,1-3H3,(H,21,22,27)
InChIKeyUOEZDKWSTIAFFB-UHFFFAOYSA-N
XLogP2.84
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 90394601) is 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(-c2cnc(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cn2)n(C)n1.
What is the InChIKey of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is UOEZDKWSTIAFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N7O/c1-7-4-9(25(2)23-7)8-5-21-10(6-20-8)22-14(27)12-11(16)13(15(17,18)19)24-26(12)3/h4-6H,1-3H3,(H,21,22,27).
What are the key properties of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 399.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 90394601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).