N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide

C15H17ClN4O — CID 170928558

IUPACN-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCC1NCc2c(C(=O)NCc3ccc(Cl)cc3)nn(C)c21
InChIInChI=1S/C15H17ClN4O/c1-9-14-12(8-17-9)13(19-20(14)2)15(21)18-7-10-3-5-11(16)6-4-10/h3-6,9,17H,7-8H2,1-2H3,(H,18,21)
InChIKeyWGKQHBBAIWRUEJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.17
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide

N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 170928558) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID170928558
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCC1NCc2c(C(=O)NCc3ccc(Cl)cc3)nn(C)c21
InChIInChI=1S/C15H17ClN4O/c1-9-14-12(8-17-9)13(19-20(14)2)15(21)18-7-10-3-5-11(16)6-4-10/h3-6,9,17H,7-8H2,1-2H3,(H,18,21)
InChIKeyWGKQHBBAIWRUEJ-UHFFFAOYSA-N
XLogP2.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide (CID 170928558) is N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide is CC1NCc2c(C(=O)NCc3ccc(Cl)cc3)nn(C)c21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is WGKQHBBAIWRUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9-14-12(8-17-9)13(19-20(14)2)15(21)18-7-10-3-5-11(16)6-4-10/h3-6,9,17H,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 170928558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).