N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide

C19H15F3N6O — CID 155947890

IUPACN-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCc1c(NC(=O)c2cnn3ccncc23)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N6O/c1-2-16-15(26-18(29)14-9-24-27-7-6-23-11-17(14)27)10-25-28(16)13-5-3-4-12(8-13)19(20,21)22/h3-11H,2H2,1H3,(H,26,29)
InChIKeySEZUSNHISDLKLR-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.75
Rot. Bonds4

About N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide

N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 155947890) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID155947890
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC NameN-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCc1c(NC(=O)c2cnn3ccncc23)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N6O/c1-2-16-15(26-18(29)14-9-24-27-7-6-23-11-17(14)27)10-25-28(16)13-5-3-4-12(8-13)19(20,21)22/h3-11H,2H2,1H3,(H,26,29)
InChIKeySEZUSNHISDLKLR-UHFFFAOYSA-N
XLogP3.75
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 155947890) is N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide is CCc1c(NC(=O)c2cnn3ccncc23)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is SEZUSNHISDLKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-2-16-15(26-18(29)14-9-24-27-7-6-23-11-17(14)27)10-25-28(16)13-5-3-4-12(8-13)19(20,21)22/h3-11H,2H2,1H3,(H,26,29).
What are the key properties of N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 155947890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).