1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid

C19H21N3O2 — CID 70631512

IUPAC1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid
SMILESCCC(N(C)C)n1nc(-c2ccccc2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C19H21N3O2/c1-4-17(21(2)3)22-16-11-10-14(19(23)24)12-15(16)18(20-22)13-8-6-5-7-9-13/h5-12,17H,4H2,1-3H3,(H,23,24)
InChIKeyJWYDBFCMRLJKMY-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.87
Rot. Bonds5

About 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid

1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid (PubChem CID 70631512) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid
PubChem CID70631512
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid
SMILESCCC(N(C)C)n1nc(-c2ccccc2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C19H21N3O2/c1-4-17(21(2)3)22-16-11-10-14(19(23)24)12-15(16)18(20-22)13-8-6-5-7-9-13/h5-12,17H,4H2,1-3H3,(H,23,24)
InChIKeyJWYDBFCMRLJKMY-UHFFFAOYSA-N
XLogP3.87
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine
CID 21494258
N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine
CID 21494183
9-ethylcarbazole-3-carboxylic acid
CID 4912869
N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 6620038
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
3-(dimethylamino)-1-methylindazole-5-carboxylic acid
CID 83836892
2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 20877476
ethane;4-phenylbenzoic acid;propane
CID 156791718
N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide
CID 2169877
1-hexan-3-ylbenzimidazole-5-carboxylic acid
CID 62118038
3-phenyl-1-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 61264145
1-(1,1-diphenylhepta-2,4,6-trienyl)-3-(2-methyl-4-pyridinyl)indazole-5-carboxylic acid
CID 123857505

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid (CID 70631512) is 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid is CCC(N(C)C)n1nc(-c2ccccc2)c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid?
The InChIKey is JWYDBFCMRLJKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-17(21(2)3)22-16-11-10-14(19(23)24)12-15(16)18(20-22)13-8-6-5-7-9-13/h5-12,17H,4H2,1-3H3,(H,23,24).
What are the key properties of 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid?
1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propyl]-3-phenylindazole-5-carboxylic acid is sourced from PubChem (CID 70631512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).