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

C15H17N3O — CID 118738010

IUPAC3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCc1ccc(-c2n[nH]c3c2CCCC3C(N)=O)cc1
InChIInChI=1S/C15H17N3O/c1-9-5-7-10(8-6-9)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)
InChIKeyHEDUJHAQQTVIOB-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.29
Rot. Bonds2

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

3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738010) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738010
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCc1ccc(-c2n[nH]c3c2CCCC3C(N)=O)cc1
InChIInChI=1S/C15H17N3O/c1-9-5-7-10(8-6-9)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)
InChIKeyHEDUJHAQQTVIOB-UHFFFAOYSA-N
XLogP2.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Suprafenacine
CID 6861947
3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 705460
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738000
3-(4-Chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide
CID 118738026
6-(4-fluorophenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 6472978
3-(3,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738004
3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738006
3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738008
3-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 4080514
3-(5-methyl-1H-indazol-3-yl)benzamide
CID 155410664
4-(5-methyl-1H-indazol-3-yl)benzamide
CID 155410737
3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118737999

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738010) is 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is Cc1ccc(-c2n[nH]c3c2CCCC3C(N)=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is HEDUJHAQQTVIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-5-7-10(8-6-9)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-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).