N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C21H21FN4O — CID 121483861

IUPACN-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCc1cccc(NC(=O)N2CCn3ncc(-c4ccc(F)cc4)c3C2)c1
InChIInChI=1S/C21H21FN4O/c1-2-15-4-3-5-18(12-15)24-21(27)25-10-11-26-20(14-25)19(13-23-26)16-6-8-17(22)9-7-16/h3-9,12-13H,2,10-11,14H2,1H3,(H,24,27)
InChIKeyQEGNLEOKKQUCJZ-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.30
Rot. Bonds3

About N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121483861) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121483861
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCc1cccc(NC(=O)N2CCn3ncc(-c4ccc(F)cc4)c3C2)c1
InChIInChI=1S/C21H21FN4O/c1-2-15-4-3-5-18(12-15)24-21(27)25-10-11-26-20(14-25)19(13-23-26)16-6-8-17(22)9-7-16/h3-9,12-13H,2,10-11,14H2,1H3,(H,24,27)
InChIKeyQEGNLEOKKQUCJZ-UHFFFAOYSA-N
XLogP4.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121483861) is N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CCc1cccc(NC(=O)N2CCn3ncc(-c4ccc(F)cc4)c3C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is QEGNLEOKKQUCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-2-15-4-3-5-18(12-15)24-21(27)25-10-11-26-20(14-25)19(13-23-26)16-6-8-17(22)9-7-16/h3-9,12-13H,2,10-11,14H2,1H3,(H,24,27).
What are the key properties of N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121483861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).