5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C16H15Cl2N3O3 — CID 90460847

IUPAC5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(C(=O)CCc1cc(Cl)cc(Cl)c1)C2
InChIInChI=1S/C16H15Cl2N3O3/c17-11-5-10(6-12(18)7-11)1-2-15(22)20-3-4-21-13(9-20)8-14(19-21)16(23)24/h5-8H,1-4,9H2,(H,23,24)
InChIKeyVRQKPNDXISNCQB-UHFFFAOYSA-N
MW368.22 g/mol
LogP2.86
Rot. Bonds4

About 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 90460847) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID90460847
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(C(=O)CCc1cc(Cl)cc(Cl)c1)C2
InChIInChI=1S/C16H15Cl2N3O3/c17-11-5-10(6-12(18)7-11)1-2-15(22)20-3-4-21-13(9-20)8-14(19-21)16(23)24/h5-8H,1-4,9H2,(H,23,24)
InChIKeyVRQKPNDXISNCQB-UHFFFAOYSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(3,5-dichlorophenyl)propanoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 86345970
1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one
CID 90460896
(3,5-dichlorophenyl)methanamine;ethyl 9-[5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylate;ethyl 9-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonyl)-9-azabicyclo[3.3.1]nonane-3-carboxylate
CID 159752842
9-[5-[3-(3,5-difluorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 158558529
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
methyl 5-(3-pyridin-3-ylpropanoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50949120
methyl 5-[3-(3-oxo-1,2-oxazol-5-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50975488
5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 50962804
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942
(3,5-dichlorophenyl)methyl 2-(propan-2-ylcarbamoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 86345838
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-5-phenylpentane-1,5-dione
CID 90653304
benzyl 2-carbamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 75365747

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 90460847) is 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCN(C(=O)CCc1cc(Cl)cc(Cl)c1)C2.
What is the InChIKey of 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is VRQKPNDXISNCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c17-11-5-10(6-12(18)7-11)1-2-15(22)20-3-4-21-13(9-20)8-14(19-21)16(23)24/h5-8H,1-4,9H2,(H,23,24).
What are the key properties of 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 368.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dichlorophenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 90460847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).