N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide

C22H24N4O2 — CID 164617379

IUPACN-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCOc1cccc(CN2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)c1
InChIInChI=1S/C22H24N4O2/c1-22(2)19-18(14-26(22)13-15-8-7-11-17(12-15)28-3)20(25-24-19)23-21(27)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H2,23,24,25,27)
InChIKeyMOCYDHRJSOQECM-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.92
Rot. Bonds5

About N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide

N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide (PubChem CID 164617379) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
PubChem CID164617379
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCOc1cccc(CN2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)c1
InChIInChI=1S/C22H24N4O2/c1-22(2)19-18(14-26(22)13-15-8-7-11-17(12-15)28-3)20(25-24-19)23-21(27)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H2,23,24,25,27)
InChIKeyMOCYDHRJSOQECM-UHFFFAOYSA-N
XLogP3.92
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The IUPAC name of N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide (CID 164617379) is N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide is COc1cccc(CN2Cc3c(NC(=O)c4ccccc4)n[nH]c3C2(C)C)c1.
What is the InChIKey of N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The InChIKey is MOCYDHRJSOQECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2)19-18(14-26(22)13-15-8-7-11-17(12-15)28-3)20(25-24-19)23-21(27)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H2,23,24,25,27).
What are the key properties of N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide?
N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide is sourced from PubChem (CID 164617379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).