2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide

C19H25FN4O — CID 50967991

IUPAC2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H25FN4O/c1-23(2)18(13-8-10-14(20)11-9-13)19(25)24(3)12-17-15-6-4-5-7-16(15)21-22-17/h8-11,18H,4-7,12H2,1-3H3,(H,21,22)
InChIKeyYXQBUAQTRDBDJA-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.69
Rot. Bonds5

About 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide

2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide (PubChem CID 50967991) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
PubChem CID50967991
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H25FN4O/c1-23(2)18(13-8-10-14(20)11-9-13)19(25)24(3)12-17-15-6-4-5-7-16(15)21-22-17/h8-11,18H,4-7,12H2,1-3H3,(H,21,22)
InChIKeyYXQBUAQTRDBDJA-UHFFFAOYSA-N
XLogP2.69
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide (CID 50967991) is 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)C(c1ccc(F)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
The InChIKey is YXQBUAQTRDBDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-23(2)18(13-8-10-14(20)11-9-13)19(25)24(3)12-17-15-6-4-5-7-16(15)21-22-17/h8-11,18H,4-7,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide is sourced from PubChem (CID 50967991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).