4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide

C16H14F3N3O2 — CID 110458508

IUPAC4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(C(F)(F)F)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)10-6-4-9(5-7-10)8-22-11-2-1-3-12(23)13(11)14(21-22)15(20)24/h4-7H,1-3,8H2,(H2,20,24)
InChIKeyFQITZSVDZHRGLR-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.57
Rot. Bonds3

About 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide

4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide (PubChem CID 110458508) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide.

Molecular Properties

Compound Name4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide
PubChem CID110458508
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(C(F)(F)F)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)10-6-4-9(5-7-10)8-22-11-2-1-3-12(23)13(11)14(21-22)15(20)24/h4-7H,1-3,8H2,(H2,20,24)
InChIKeyFQITZSVDZHRGLR-UHFFFAOYSA-N
XLogP2.57
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide 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,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146597639
5-((4-Fluorobenzyl)amino)-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45160790
(2,5-difluorophenyl){1-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)carbonyl]piperidin-3-yl}methanone
CID 16191616
3-(3-(4-methylbenzoyl)-6-(trifluoromethyl)-2H-indazol-2-yl)propanamide
CID 24979607
N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide
CID 71525744
Hdac6-IN-34
CID 71526388
5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146597666
1-(cyclopropylmethyl)-N-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 155688297
1-Ethyl-3-methyl-benzo[f]indazole-4,9-dione
CID 501295
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129689
{1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}[4-(trifluoromethyl)phenyl]methanone
CID 24793452
2-[(2,5-difluorophenyl)methyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one
CID 91890097

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide?
The IUPAC name of 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide (CID 110458508) is 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide.
What is the SMILES notation for 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide?
The canonical SMILES for 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide is NC(=O)c1nn(Cc2ccc(C(F)(F)F)cc2)c2c1C(=O)CCC2.
What is the InChIKey of 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide?
The InChIKey is FQITZSVDZHRGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)10-6-4-9(5-7-10)8-22-11-2-1-3-12(23)13(11)14(21-22)15(20)24/h4-7H,1-3,8H2,(H2,20,24).
What are the key properties of 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide?
4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazole-3-carboxamide is sourced from PubChem (CID 110458508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).