N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide

C17H20F2N4O — CID 46916317

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N4O/c1-22(2)10-17(24)21-14-4-3-5-15-12(14)9-20-23(15)16-7-6-11(18)8-13(16)19/h6-9,14H,3-5,10H2,1-2H3,(H,21,24)
InChIKeyNKEFXASSYQPWER-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.21
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide (PubChem CID 46916317) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide
PubChem CID46916317
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N4O/c1-22(2)10-17(24)21-14-4-3-5-15-12(14)9-20-23(15)16-7-6-11(18)8-13(16)19/h6-9,14H,3-5,10H2,1-2H3,(H,21,24)
InChIKeyNKEFXASSYQPWER-UHFFFAOYSA-N
XLogP2.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-methyl-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 24794296
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723494
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 9862544
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide
CID 16192366
US10889564, Example 1
CID 24819270
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 33948385

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide (CID 46916317) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide?
The InChIKey is NKEFXASSYQPWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-22(2)10-17(24)21-14-4-3-5-15-12(14)9-20-23(15)16-7-6-11(18)8-13(16)19/h6-9,14H,3-5,10H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide has a molecular weight of 334.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 46916317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).