2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C24H22ClFN6O3 — CID 118080362

IUPAC2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(O)C1CN(C(=O)Nc2ccc(C#N)cc2)Cc2c(C(N)=O)c(-c3ccc(F)c(Cl)c3)nn21
InChIInChI=1S/C24H22ClFN6O3/c1-24(2,35)19-12-31(23(34)29-15-6-3-13(10-27)4-7-15)11-18-20(22(28)33)21(30-32(18)19)14-5-8-17(26)16(25)9-14/h3-9,19,35H,11-12H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyZOWHCWRDCNPFCD-UHFFFAOYSA-N
MW496.93 g/mol
LogP3.67
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118080362) has the molecular formula C24H22ClFN6O3 and a molecular weight of 496.93 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118080362
Molecular FormulaC24H22ClFN6O3
Molecular Weight496.93 g/mol
Exact Mass496.14
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(O)C1CN(C(=O)Nc2ccc(C#N)cc2)Cc2c(C(N)=O)c(-c3ccc(F)c(Cl)c3)nn21
InChIInChI=1S/C24H22ClFN6O3/c1-24(2,35)19-12-31(23(34)29-15-6-3-13(10-27)4-7-15)11-18-20(22(28)33)21(30-32(18)19)14-5-8-17(26)16(25)9-14/h3-9,19,35H,11-12H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyZOWHCWRDCNPFCD-UHFFFAOYSA-N
XLogP3.67
TPSA137.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.93
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-6-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639736
1'-acetyl-2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,3'-azetidine]-3,5-dicarboxamide
CID 118085543
2-(3-chloro-4-fluorophenyl)-5-N-(4-isocyanophenyl)-7-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 140748579
5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 144845027
5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5,7-tricarboxamide
CID 118071147
5-N-(4-cyanophenyl)-2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650856
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085690
2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 157364092
tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-[(cyclopropylamino)-hydroxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 138749188
(2R,6S)-11-(3-chlorophenyl)-7-N-(4-cyanophenyl)-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-7,10-dicarboxamide
CID 118085407
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-morpholin-4-ylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650874
tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118069376

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118080362) is 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(O)C1CN(C(=O)Nc2ccc(C#N)cc2)Cc2c(C(N)=O)c(-c3ccc(F)c(Cl)c3)nn21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is ZOWHCWRDCNPFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O3/c1-24(2,35)19-12-31(23(34)29-15-6-3-13(10-27)4-7-15)11-18-20(22(28)33)21(30-32(18)19)14-5-8-17(26)16(25)9-14/h3-9,19,35H,11-12H2,1-2H3,(H2,28,33)(H,29,34).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 496.93 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118080362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).