tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate

C29H30FN3O2 — CID 142678073

IUPACtert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate
SMILESCN(CC(=O)OC(C)(C)C)Cc1cnn(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1F
InChIInChI=1S/C29H30FN3O2/c1-29(2,3)35-27(34)20-32(4)19-23-18-31-33(28(23)25-12-8-9-13-26(25)30)24-16-14-22(15-17-24)21-10-6-5-7-11-21/h5-18H,19-20H2,1-4H3
InChIKeyVATIAMZMEOQABW-UHFFFAOYSA-N
MW471.58 g/mol
LogP6.12
Rot. Bonds7

About tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate

tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate (PubChem CID 142678073) has the molecular formula C29H30FN3O2 and a molecular weight of 471.58 g/mol. Its IUPAC name is tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate
PubChem CID142678073
Molecular FormulaC29H30FN3O2
Molecular Weight471.58 g/mol
Exact Mass471.23
IUPAC Nametert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate
SMILESCN(CC(=O)OC(C)(C)C)Cc1cnn(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1F
InChIInChI=1S/C29H30FN3O2/c1-29(2,3)35-27(34)20-32(4)19-23-18-31-33(28(23)25-12-8-9-13-26(25)30)24-16-14-22(15-17-24)21-10-6-5-7-11-21/h5-18H,19-20H2,1-4H3
InChIKeyVATIAMZMEOQABW-UHFFFAOYSA-N
XLogP6.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate 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

tert-butyl 2-[4-[5-(2-fluorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-1-yl]phenyl]pyrrole-1-carboxylate
CID 69361303
[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 142677987
[2-tert-butyl-4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]piperidin-1-yl] hydrogen carbonate
CID 91257755
ethyl 2-[4-[[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]piperazin-1-yl]acetate
CID 142677891
4-[2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]ethyl]-1,4-oxazepane
CID 142949271
tert-butyl 2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]acetate
CID 134509436
N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 142678029
[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methanol
CID 142677954
1-[[1-[4-(5-benzyl-1,3-dioxol-4-yl)phenyl]-5-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 69361882
4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine
CID 91119328
tert-butyl 2-[2-[2-(2-chlorophenyl)-4-phenylphenoxy]ethyl-methylamino]acetate
CID 70329366
tert-butyl 2-[[3-[5-[4-(3-fluoro-2-methylphenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]acetate
CID 66678283

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate?
The IUPAC name of tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate (CID 142678073) is tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate?
The canonical SMILES for tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate is CN(CC(=O)OC(C)(C)C)Cc1cnn(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1F.
What is the InChIKey of tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate?
The InChIKey is VATIAMZMEOQABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O2/c1-29(2,3)35-27(34)20-32(4)19-23-18-31-33(28(23)25-12-8-9-13-26(25)30)24-16-14-22(15-17-24)21-10-6-5-7-11-21/h5-18H,19-20H2,1-4H3.
What are the key properties of tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate?
tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate has a molecular weight of 471.58 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl-methylamino]acetate is sourced from PubChem (CID 142678073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).