5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide

C19H21N3O2 — CID 86846212

IUPAC5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3cccc(COC(C)C)c3)c2c1
InChIInChI=1S/C19H21N3O2/c1-12(2)24-11-14-5-4-6-15(10-14)20-19(23)18-16-9-13(3)7-8-17(16)21-22-18/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBJJHENPNZQSJHV-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.05
Rot. Bonds5

About 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide

5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 86846212) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID86846212
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3cccc(COC(C)C)c3)c2c1
InChIInChI=1S/C19H21N3O2/c1-12(2)24-11-14-5-4-6-15(10-14)20-19(23)18-16-9-13(3)7-8-17(16)21-22-18/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBJJHENPNZQSJHV-UHFFFAOYSA-N
XLogP4.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598
5-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1H-indazole-3-carboxamide
CID 78867764
N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78878510
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide
CID 78865849
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859177
N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide
CID 21241441
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
5-methyl-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 29107106
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866429
2-amino-3-[3-[(5-fluoro-1H-indazole-3-carbonyl)amino]phenyl]propanoic acid
CID 167989101
N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859037

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide (CID 86846212) is 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)Nc3cccc(COC(C)C)c3)c2c1.
What is the InChIKey of 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is BJJHENPNZQSJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(2)24-11-14-5-4-6-15(10-14)20-19(23)18-16-9-13(3)7-8-17(16)21-22-18/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide?
5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86846212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).