3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid

C32H29N3O2 — CID 23157594

IUPAC3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NCc2ccc(Cn3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C32H29N3O2/c36-32(37)20-17-24-15-18-29(19-16-24)33-22-25-11-13-26(14-12-25)23-35-31(28-9-5-2-6-10-28)21-30(34-35)27-7-3-1-4-8-27/h1-16,18-19,21,33H,17,20,22-23H2,(H,36,37)
InChIKeyKSQRYERMPADIRF-UHFFFAOYSA-N
MW487.60 g/mol
LogP6.89
Rot. Bonds10

About 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid

3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid (PubChem CID 23157594) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid
PubChem CID23157594
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NCc2ccc(Cn3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C32H29N3O2/c36-32(37)20-17-24-15-18-29(19-16-24)33-22-25-11-13-26(14-12-25)23-35-31(28-9-5-2-6-10-28)21-30(34-35)27-7-3-1-4-8-27/h1-16,18-19,21,33H,17,20,22-23H2,(H,36,37)
InChIKeyKSQRYERMPADIRF-UHFFFAOYSA-N
XLogP6.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid 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

methyl 3-[4-[[4-[[5-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]phenyl]methylamino]phenyl]propanoate
CID 23157687
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
3-[4-[[3-(4-methylphenyl)phenyl]methylamino]phenyl]propanoic acid
CID 54583099
1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500
3-[4-[(3-carbamoylphenyl)methylamino]phenyl]propanoic acid
CID 24825506
2-[5-(benzylamino)-6-oxo-3-phenylpyridazin-1-yl]acetic acid
CID 10854253
3-[4-[[4-(N-ethyl-C-phenylcarbonimidoyl)phenyl]methylamino]phenyl]propanoic acid
CID 88581480
3-[4-[[4-[3-(dimethylamino)propyl]anilino]methyl]phenyl]propanoic acid
CID 91109497
5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole
CID 66015304
3-[2-fluoro-4-[[4-[[5-(phenoxymethyl)-3-propan-2-ylpyrazol-1-yl]methyl]phenyl]methylamino]phenyl]propanoic acid
CID 143103967
1-ethyl-3,5-diphenylpyrazole
CID 12665793
1-benzyl-5-phenylpyrazole-3-carbohydrazide
CID 91871673

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid (CID 23157594) is 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid is O=C(O)CCc1ccc(NCc2ccc(Cn3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid?
The InChIKey is KSQRYERMPADIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c36-32(37)20-17-24-15-18-29(19-16-24)33-22-25-11-13-26(14-12-25)23-35-31(28-9-5-2-6-10-28)21-30(34-35)27-7-3-1-4-8-27/h1-16,18-19,21,33H,17,20,22-23H2,(H,36,37).
What are the key properties of 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid?
3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid has a molecular weight of 487.60 g/mol, XLogP of 6.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]methylamino]phenyl]propanoic acid is sourced from PubChem (CID 23157594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).