5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C20H24N6O2 — CID 50985333

IUPAC5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(=O)N1CCn2nc(C(=O)N(C)CCc3nc4c(C)cccc4[nH]3)cc2C1
InChIInChI=1S/C20H24N6O2/c1-13-5-4-6-16-19(13)22-18(21-16)7-8-24(3)20(28)17-11-15-12-25(14(2)27)9-10-26(15)23-17/h4-6,11H,7-10,12H2,1-3H3,(H,21,22)
InChIKeyZJPIGISVPLKOAT-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.74
Rot. Bonds4

About 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50985333) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50985333
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(=O)N1CCn2nc(C(=O)N(C)CCc3nc4c(C)cccc4[nH]3)cc2C1
InChIInChI=1S/C20H24N6O2/c1-13-5-4-6-16-19(13)22-18(21-16)7-8-24(3)20(28)17-11-15-12-25(14(2)27)9-10-26(15)23-17/h4-6,11H,7-10,12H2,1-3H3,(H,21,22)
InChIKeyZJPIGISVPLKOAT-UHFFFAOYSA-N
XLogP1.74
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50985333) is 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CC(=O)N1CCn2nc(C(=O)N(C)CCc3nc4c(C)cccc4[nH]3)cc2C1.
What is the InChIKey of 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is ZJPIGISVPLKOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-5-4-6-16-19(13)22-18(21-16)7-8-24(3)20(28)17-11-15-12-25(14(2)27)9-10-26(15)23-17/h4-6,11H,7-10,12H2,1-3H3,(H,21,22).
What are the key properties of 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50985333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).