3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide

C19H20ClN3O2 — CID 135581916

IUPAC3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide
SMILESCCCN(C)C(=O)c1cc2c(Cc3ccc(Cl)cc3)[nH]nc2cc1O
InChIInChI=1S/C19H20ClN3O2/c1-3-8-23(2)19(25)15-10-14-16(21-22-17(14)11-18(15)24)9-12-4-6-13(20)7-5-12/h4-7,10-11,24H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyOWPDIJBSKPHTLA-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.99
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide

3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide (PubChem CID 135581916) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide
PubChem CID135581916
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide
SMILESCCCN(C)C(=O)c1cc2c(Cc3ccc(Cl)cc3)[nH]nc2cc1O
InChIInChI=1S/C19H20ClN3O2/c1-3-8-23(2)19(25)15-10-14-16(21-22-17(14)11-18(15)24)9-12-4-6-13(20)7-5-12/h4-7,10-11,24H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyOWPDIJBSKPHTLA-UHFFFAOYSA-N
XLogP3.99
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
CID 135693464
3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
CID 135581796
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
CID 135582022
3-hydroxy-N-methyl-N-propylnaphthalene-2-carboxamide
CID 43624990
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
2-hydroxy-N-methyl-N-propylbenzamide
CID 43271541
4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
CID 50956773
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide (CID 135581916) is 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide is CCCN(C)C(=O)c1cc2c(Cc3ccc(Cl)cc3)[nH]nc2cc1O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide?
The InChIKey is OWPDIJBSKPHTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-3-8-23(2)19(25)15-10-14-16(21-22-17(14)11-18(15)24)9-12-4-6-13(20)7-5-12/h4-7,10-11,24H,3,8-9H2,1-2H3,(H,21,22).
What are the key properties of 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide?
3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 135581916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).