3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide

C15H18N4O4 — CID 3956584

IUPAC3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(N)=O)c3c2CCN3)cc(OC)c1OC
InChIInChI=1S/C15H18N4O4/c1-21-10-6-8(7-11(22-2)13(10)23-3)12-9-4-5-17-14(9)19(18-12)15(16)20/h6-7,17H,4-5H2,1-3H3,(H2,16,20)
InChIKeyPZICPRDKOJPPIP-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.47
Rot. Bonds4

About 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide

3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide (PubChem CID 3956584) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
PubChem CID3956584
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(N)=O)c3c2CCN3)cc(OC)c1OC
InChIInChI=1S/C15H18N4O4/c1-21-10-6-8(7-11(22-2)13(10)23-3)12-9-4-5-17-14(9)19(18-12)15(16)20/h6-7,17H,4-5H2,1-3H3,(H2,16,20)
InChIKeyPZICPRDKOJPPIP-UHFFFAOYSA-N
XLogP1.47
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
The IUPAC name of 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide (CID 3956584) is 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
The canonical SMILES for 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide is COc1cc(-c2nn(C(N)=O)c3c2CCN3)cc(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
The InChIKey is PZICPRDKOJPPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-21-10-6-8(7-11(22-2)13(10)23-3)12-9-4-5-17-14(9)19(18-12)15(16)20/h6-7,17H,4-5H2,1-3H3,(H2,16,20).
What are the key properties of 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide?
3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide is sourced from PubChem (CID 3956584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).