2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C20H27N5O3 — CID 72889341

IUPAC2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1ccc(CCC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)cc1
InChIInChI=1S/C20H27N5O3/c1-23(2)20(27)24-10-11-25-17(14-24)12-16(22-25)13-21-19(26)9-6-15-4-7-18(28-3)8-5-15/h4-5,7-8,12H,6,9-11,13-14H2,1-3H3,(H,21,26)
InChIKeyFDVJBTBLGIWXFD-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.64
Rot. Bonds6

About 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 72889341) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID72889341
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1ccc(CCC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)cc1
InChIInChI=1S/C20H27N5O3/c1-23(2)20(27)24-10-11-25-17(14-24)12-16(22-25)13-21-19(26)9-6-15-4-7-18(28-3)8-5-15/h4-5,7-8,12H,6,9-11,13-14H2,1-3H3,(H,21,26)
InChIKeyFDVJBTBLGIWXFD-UHFFFAOYSA-N
XLogP1.64
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 72889341) is 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is COc1ccc(CCC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is FDVJBTBLGIWXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-23(2)20(27)24-10-11-25-17(14-24)12-16(22-25)13-21-19(26)9-6-15-4-7-18(28-3)8-5-15/h4-5,7-8,12H,6,9-11,13-14H2,1-3H3,(H,21,26).
What are the key properties of 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 72889341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).