5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H24ClN5O2 — CID 46077132

IUPAC5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCN1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccc(Cl)cc2)C3=O)CC1
InChIInChI=1S/C20H24ClN5O2/c1-2-23-7-9-24(10-8-23)19(27)17-13-18-20(28)25(11-12-26(18)22-17)14-15-3-5-16(21)6-4-15/h3-6,13H,2,7-12,14H2,1H3
InChIKeyUQKHDIVHYJPXKD-UHFFFAOYSA-N
MW401.90 g/mol
LogP1.97
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 46077132) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID46077132
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCN1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccc(Cl)cc2)C3=O)CC1
InChIInChI=1S/C20H24ClN5O2/c1-2-23-7-9-24(10-8-23)19(27)17-13-18-20(28)25(11-12-26(18)22-17)14-15-3-5-16(21)6-4-15/h3-6,13H,2,7-12,14H2,1H3
InChIKeyUQKHDIVHYJPXKD-UHFFFAOYSA-N
XLogP1.97
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 46077132) is 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CCN1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccc(Cl)cc2)C3=O)CC1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UQKHDIVHYJPXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-2-23-7-9-24(10-8-23)19(27)17-13-18-20(28)25(11-12-26(18)22-17)14-15-3-5-16(21)6-4-15/h3-6,13H,2,7-12,14H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 401.90 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 46077132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).