N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide

C25H24FN3O — CID 66919657

IUPACN-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCC1(CNC(=O)C2(c3ccccc3)CC2)C=Cc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C25H24FN3O/c1-24(17-27-23(30)25(13-14-25)19-5-3-2-4-6-19)12-11-22-18(15-24)16-28-29(22)21-9-7-20(26)8-10-21/h2-12,16H,13-15,17H2,1H3,(H,27,30)
InChIKeyPNFWZIQUGSXGOI-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.43
Rot. Bonds5

About N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide

N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 66919657) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID66919657
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC NameN-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCC1(CNC(=O)C2(c3ccccc3)CC2)C=Cc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C25H24FN3O/c1-24(17-27-23(30)25(13-14-25)19-5-3-2-4-6-19)12-11-22-18(15-24)16-28-29(22)21-9-7-20(26)8-10-21/h2-12,16H,13-15,17H2,1H3,(H,27,30)
InChIKeyPNFWZIQUGSXGOI-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide
CID 66919372
(2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol
CID 66919420
1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol
CID 66919562
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole
CID 66919437
1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
CID 66919599
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 72865599
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
(5S)-1-(4-fluorophenyl)-1'-(4-methylphenyl)spiro[4H-indazole-5,6'-cyclohexene]
CID 163624309
1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole
CID 66919534
2-[(3S)-3-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-hydroxypropyl]benzoic acid
CID 173382163
1-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369835

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide (CID 66919657) is N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide is CC1(CNC(=O)C2(c3ccccc3)CC2)C=Cc2c(cnn2-c2ccc(F)cc2)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is PNFWZIQUGSXGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-24(17-27-23(30)25(13-14-25)19-5-3-2-4-6-19)12-11-22-18(15-24)16-28-29(22)21-9-7-20(26)8-10-21/h2-12,16H,13-15,17H2,1H3,(H,27,30).
What are the key properties of N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide?
N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 66919657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).