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

C18H30N6O3 — CID 72893771

IUPACN,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC(CN1CCOCC1)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H30N6O3/c1-14(12-22-6-8-27-9-7-22)17(25)19-11-15-10-16-13-23(18(26)21(2)3)4-5-24(16)20-15/h10,14H,4-9,11-13H2,1-3H3,(H,19,25)
InChIKeyZGJSUHUTMVVFOE-UHFFFAOYSA-N
MW378.48 g/mol
LogP-0.04
Rot. Bonds5

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

N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 72893771) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID72893771
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC NameN,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC(CN1CCOCC1)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H30N6O3/c1-14(12-22-6-8-27-9-7-22)17(25)19-11-15-10-16-13-23(18(26)21(2)3)4-5-24(16)20-15/h10,14H,4-9,11-13H2,1-3H3,(H,19,25)
InChIKeyZGJSUHUTMVVFOE-UHFFFAOYSA-N
XLogP-0.04
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 72893771) is N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC(CN1CCOCC1)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is ZGJSUHUTMVVFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-14(12-22-6-8-27-9-7-22)17(25)19-11-15-10-16-13-23(18(26)21(2)3)4-5-24(16)20-15/h10,14H,4-9,11-13H2,1-3H3,(H,19,25).
What are the key properties of N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methyl-3-morpholin-4-ylpropanoyl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 72893771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).