N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C16H22N6O2 — CID 56760353

IUPACN-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H22N6O2/c1-20(2)7-6-18-15(23)14-10-12-11-21(8-9-22(12)19-14)16(24)13-4-3-5-17-13/h3-5,10,17H,6-9,11H2,1-2H3,(H,18,23)
InChIKeyCMWLIWGOVGGZHF-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.16
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 56760353) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID56760353
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H22N6O2/c1-20(2)7-6-18-15(23)14-10-12-11-21(8-9-22(12)19-14)16(24)13-4-3-5-17-13/h3-5,10,17H,6-9,11H2,1-2H3,(H,18,23)
InChIKeyCMWLIWGOVGGZHF-UHFFFAOYSA-N
XLogP0.16
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 56760353) is N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)c1ccc[nH]1)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is CMWLIWGOVGGZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20(2)7-6-18-15(23)14-10-12-11-21(8-9-22(12)19-14)16(24)13-4-3-5-17-13/h3-5,10,17H,6-9,11H2,1-2H3,(H,18,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56760353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).