3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C14H15N3O — CID 118737999

IUPAC3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccccc3)n[nH]c21
InChIInChI=1S/C14H15N3O/c15-14(18)11-8-4-7-10-12(16-17-13(10)11)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H2,15,18)(H,16,17)
InChIKeyLKZRQUZALGNMTR-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.98
Rot. Bonds2

About 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118737999) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118737999
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccccc3)n[nH]c21
InChIInChI=1S/C14H15N3O/c15-14(18)11-8-4-7-10-12(16-17-13(10)11)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H2,15,18)(H,16,17)
InChIKeyLKZRQUZALGNMTR-UHFFFAOYSA-N
XLogP1.98
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 705460
4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid benzylidene-hydrazide
CID 6864069
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
4,5,6,7-Tetrahydro-3-phenyl-1H-indazole
CID 120034
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-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738010
3-(4-fluorophenyl)-1H-indazole-5-carboxamide
CID 9992519
3-(3-aminophenyl)-1H-indazole-5-carboxamide
CID 22479700

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118737999) is 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is NC(=O)C1CCCc2c(-c3ccccc3)n[nH]c21.
What is the InChIKey of 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is LKZRQUZALGNMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)11-8-4-7-10-12(16-17-13(10)11)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H2,15,18)(H,16,17).
What are the key properties of 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118737999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).