4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one

C19H17ClN4O2 — CID 86293916

IUPAC4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1cc(N2C(=O)c3nn(C)cc3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C19H17ClN4O2/c1-11-8-14(9-22(2)18(11)25)24-17(12-4-6-13(20)7-5-12)15-10-23(3)21-16(15)19(24)26/h4-10,17H,1-3H3
InChIKeyFAMCYVZRWHZORW-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.83
Rot. Bonds2

About 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one

4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 86293916) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID86293916
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1cc(N2C(=O)c3nn(C)cc3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C19H17ClN4O2/c1-11-8-14(9-22(2)18(11)25)24-17(12-4-6-13(20)7-5-12)15-10-23(3)21-16(15)19(24)26/h4-10,17H,1-3H3
InChIKeyFAMCYVZRWHZORW-UHFFFAOYSA-N
XLogP2.83
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 86293916) is 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one is Cc1cc(N2C(=O)c3nn(C)cc3C2c2ccc(Cl)cc2)cn(C)c1=O.
What is the InChIKey of 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is FAMCYVZRWHZORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-11-8-14(9-22(2)18(11)25)24-17(12-4-6-13(20)7-5-12)15-10-23(3)21-16(15)19(24)26/h4-10,17H,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 368.82 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 86293916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).