N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C9H13N3O2 — CID 11356033

IUPACN-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCON(C)C(=O)c1cc2n(n1)CCC2
InChIInChI=1S/C9H13N3O2/c1-11(14-2)9(13)8-6-7-4-3-5-12(7)10-8/h6H,3-5H2,1-2H3
InChIKeyFWHHOSCDELSADD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.46
Rot. Bonds2

About N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 11356033) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID11356033
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCON(C)C(=O)c1cc2n(n1)CCC2
InChIInChI=1S/C9H13N3O2/c1-11(14-2)9(13)8-6-7-4-3-5-12(7)10-8/h6H,3-5H2,1-2H3
InChIKeyFWHHOSCDELSADD-UHFFFAOYSA-N
XLogP0.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 11356033) is N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is CON(C)C(=O)c1cc2n(n1)CCC2.
What is the InChIKey of N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is FWHHOSCDELSADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11(14-2)9(13)8-6-7-4-3-5-12(7)10-8/h6H,3-5H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 11356033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).