2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C21H16Cl3FN4O2 — CID 149094626

IUPAC2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=O)c1c(-c2cc(F)cc(Cl)c2)nn2c1CN(C(=O)Cc1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C21H16Cl3FN4O2/c22-13-3-11(4-14(23)8-13)5-18(30)28-1-2-29-17(10-28)19(21(26)31)20(27-29)12-6-15(24)9-16(25)7-12/h3-4,6-9H,1-2,5,10H2,(H2,26,31)
InChIKeyQTGMIMPRCGLYDJ-UHFFFAOYSA-N
MW481.74 g/mol
LogP4.33
Rot. Bonds4

About 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 149094626) has the molecular formula C21H16Cl3FN4O2 and a molecular weight of 481.74 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID149094626
Molecular FormulaC21H16Cl3FN4O2
Molecular Weight481.74 g/mol
Exact Mass480.03
IUPAC Name2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=O)c1c(-c2cc(F)cc(Cl)c2)nn2c1CN(C(=O)Cc1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C21H16Cl3FN4O2/c22-13-3-11(4-14(23)8-13)5-18(30)28-1-2-29-17(10-28)19(21(26)31)20(27-29)12-6-15(24)9-16(25)7-12/h3-4,6-9H,1-2,5,10H2,(H2,26,31)
InChIKeyQTGMIMPRCGLYDJ-UHFFFAOYSA-N
XLogP4.33
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 149094626) is 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is NC(=O)c1c(-c2cc(F)cc(Cl)c2)nn2c1CN(C(=O)Cc1cc(Cl)cc(Cl)c1)CC2.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is QTGMIMPRCGLYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3FN4O2/c22-13-3-11(4-14(23)8-13)5-18(30)28-1-2-29-17(10-28)19(21(26)31)20(27-29)12-6-15(24)9-16(25)7-12/h3-4,6-9H,1-2,5,10H2,(H2,26,31).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 481.74 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-5-[2-(3,5-dichlorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 149094626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).