5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide

C18H20F3N3O — CID 67982791

IUPAC5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC1CC(C)(C)c2c(F)ccc(CNC(=O)c3cn[nH]c3C(F)F)c21
InChIInChI=1S/C18H20F3N3O/c1-9-6-18(2,3)14-12(19)5-4-10(13(9)14)7-22-17(25)11-8-23-24-15(11)16(20)21/h4-5,8-9,16H,6-7H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQQDNYMWBZHFBKQ-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.20
Rot. Bonds4

About 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide

5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 67982791) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID67982791
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC1CC(C)(C)c2c(F)ccc(CNC(=O)c3cn[nH]c3C(F)F)c21
InChIInChI=1S/C18H20F3N3O/c1-9-6-18(2,3)14-12(19)5-4-10(13(9)14)7-22-17(25)11-8-23-24-15(11)16(20)21/h4-5,8-9,16H,6-7H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQQDNYMWBZHFBKQ-UHFFFAOYSA-N
XLogP4.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-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

5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
CID 150931172
5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
CID 121331448
3-(difluoromethyl)-N-[(1R,3S)-7-fluoro-1-(hydroxymethyl)-1,3-dimethyl-2,3-dihydroinden-4-yl]-1-methylpyrazole-4-carboxamide
CID 171394771
5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 144770900
3-amino-4,4-difluoro-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-2-(methyliminomethyl)but-2-enamide
CID 147148080
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
CID 79351042
N-[11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 70981109
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115701
N-[[2-(3,4-difluorophenyl)-4-fluorophenyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 118418865
5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide
CID 167915834

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide (CID 67982791) is 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide is CC1CC(C)(C)c2c(F)ccc(CNC(=O)c3cn[nH]c3C(F)F)c21.
What is the InChIKey of 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QQDNYMWBZHFBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-9-6-18(2,3)14-12(19)5-4-10(13(9)14)7-22-17(25)11-8-23-24-15(11)16(20)21/h4-5,8-9,16H,6-7H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide?
5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 67982791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).