3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C15H17N3O2 — CID 118738011

IUPAC3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCOc1ccc(-c2n[nH]c3c2CCCC3C(N)=O)cc1
InChIInChI=1S/C15H17N3O2/c1-20-10-7-5-9(6-8-10)13-11-3-2-4-12(15(16)19)14(11)18-17-13/h5-8,12H,2-4H2,1H3,(H2,16,19)(H,17,18)
InChIKeyAZJOWOUKNPSILZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.99
Rot. Bonds3

About 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738011) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738011
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCOc1ccc(-c2n[nH]c3c2CCCC3C(N)=O)cc1
InChIInChI=1S/C15H17N3O2/c1-20-10-7-5-9(6-8-10)13-11-3-2-4-12(15(16)19)14(11)18-17-13/h5-8,12H,2-4H2,1H3,(H2,16,19)(H,17,18)
InChIKeyAZJOWOUKNPSILZ-UHFFFAOYSA-N
XLogP1.99
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738011) is 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is COc1ccc(-c2n[nH]c3c2CCCC3C(N)=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is AZJOWOUKNPSILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-10-7-5-9(6-8-10)13-11-3-2-4-12(15(16)19)14(11)18-17-13/h5-8,12H,2-4H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).