5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol

C23H28N6O3 — CID 157114708

IUPAC5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol
SMILESC1=c2cn[nH]c2=CCC1.CO.COCCn1cc(C(=O)NC2=Nc3ccccc3C2)cn1
InChIInChI=1S/C15H16N4O2.C7H8N2.CH4O/c1-21-7-6-19-10-12(9-16-19)15(20)18-14-8-11-4-2-3-5-13(11)17-14;1-2-4-7-6(3-1)5-8-9-7;1-2/h2-5,9-10H,6-8H2,1H3,(H,17,18,20);3-5,9H,1-2H2;2H,1H3
InChIKeyAHGIPCLFVIXBPB-UHFFFAOYSA-N
MW436.52 g/mol
LogP0.92
Rot. Bonds4

About 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol

5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol (PubChem CID 157114708) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol.

Molecular Properties

Compound Name5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol
PubChem CID157114708
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol
SMILESC1=c2cn[nH]c2=CCC1.CO.COCCn1cc(C(=O)NC2=Nc3ccccc3C2)cn1
InChIInChI=1S/C15H16N4O2.C7H8N2.CH4O/c1-21-7-6-19-10-12(9-16-19)15(20)18-14-8-11-4-2-3-5-13(11)17-14;1-2-4-7-6(3-1)5-8-9-7;1-2/h2-5,9-10H,6-8H2,1H3,(H,17,18,20);3-5,9H,1-2H2;2H,1H3
InChIKeyAHGIPCLFVIXBPB-UHFFFAOYSA-N
XLogP0.92
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol?
The IUPAC name of 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol (CID 157114708) is 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol.
What is the SMILES notation for 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol?
The canonical SMILES for 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol is C1=c2cn[nH]c2=CCC1.CO.COCCn1cc(C(=O)NC2=Nc3ccccc3C2)cn1.
What is the InChIKey of 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol?
The InChIKey is AHGIPCLFVIXBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2.C7H8N2.CH4O/c1-21-7-6-19-10-12(9-16-19)15(20)18-14-8-11-4-2-3-5-13(11)17-14;1-2-4-7-6(3-1)5-8-9-7;1-2/h2-5,9-10H,6-8H2,1H3,(H,17,18,20);3-5,9H,1-2H2;2H,1H3.
What are the key properties of 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol?
5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol has a molecular weight of 436.52 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-indazole;N-(3H-indol-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide;methanol is sourced from PubChem (CID 157114708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).