6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

C20H21N3O4 — CID 56929927

IUPAC6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1ccc(C2C3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1
InChIInChI=1S/C20H21N3O4/c1-25-13-6-4-11(5-7-13)19-15-8-12-9-16(26-2)17(27-3)10-14(12)18(15)22-23(19)20(21)24/h4-7,9-10,15,19H,8H2,1-3H3,(H2,21,24)
InChIKeyDRPZFPFMLAERPC-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.72
Rot. Bonds4

About 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56929927) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56929927
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1ccc(C2C3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1
InChIInChI=1S/C20H21N3O4/c1-25-13-6-4-11(5-7-13)19-15-8-12-9-16(26-2)17(27-3)10-14(12)18(15)22-23(19)20(21)24/h4-7,9-10,15,19H,8H2,1-3H3,(H2,21,24)
InChIKeyDRPZFPFMLAERPC-UHFFFAOYSA-N
XLogP2.72
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56929927) is 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1ccc(C2C3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1.
What is the InChIKey of 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is DRPZFPFMLAERPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-13-6-4-11(5-7-13)19-15-8-12-9-16(26-2)17(27-3)10-14(12)18(15)22-23(19)20(21)24/h4-7,9-10,15,19H,8H2,1-3H3,(H2,21,24).
What are the key properties of 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56929927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).