1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C15H19N3O — CID 3260170

IUPAC1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCc1ccc(-n2nc(COC)c3c2NCC3)cc1
InChIInChI=1S/C15H19N3O/c1-3-11-4-6-12(7-5-11)18-15-13(8-9-16-15)14(17-18)10-19-2/h4-7,16H,3,8-10H2,1-2H3
InChIKeyPDCONWKJWUFJCJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3260170) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3260170
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCc1ccc(-n2nc(COC)c3c2NCC3)cc1
InChIInChI=1S/C15H19N3O/c1-3-11-4-6-12(7-5-11)18-15-13(8-9-16-15)14(17-18)10-19-2/h4-7,16H,3,8-10H2,1-2H3
InChIKeyPDCONWKJWUFJCJ-UHFFFAOYSA-N
XLogP2.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3260170) is 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCc1ccc(-n2nc(COC)c3c2NCC3)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is PDCONWKJWUFJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11-4-6-12(7-5-11)18-15-13(8-9-16-15)14(17-18)10-19-2/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 257.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3260170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).