1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole

C32H30N2O3 — CID 175310022

IUPAC1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2ccccc2-n2nc(C)cc2-c2ccccc2)cc1OCCOCc1ccccc1
InChIInChI=1S/C32H30N2O3/c1-24-21-30(26-13-7-4-8-14-26)34(33-24)29-16-10-9-15-28(29)27-17-18-31(35-2)32(22-27)37-20-19-36-23-25-11-5-3-6-12-25/h3-18,21-22H,19-20,23H2,1-2H3
InChIKeyDSACUSKIPWFRSO-UHFFFAOYSA-N
MW490.60 g/mol
LogP7.12
Rot. Bonds10

About 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole

1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole (PubChem CID 175310022) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole.

Molecular Properties

Compound Name1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole
PubChem CID175310022
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC Name1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2ccccc2-n2nc(C)cc2-c2ccccc2)cc1OCCOCc1ccccc1
InChIInChI=1S/C32H30N2O3/c1-24-21-30(26-13-7-4-8-14-26)34(33-24)29-16-10-9-15-28(29)27-17-18-31(35-2)32(22-27)37-20-19-36-23-25-11-5-3-6-12-25/h3-18,21-22H,19-20,23H2,1-2H3
InChIKeyDSACUSKIPWFRSO-UHFFFAOYSA-N
XLogP7.12
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-chloro-4-methoxyphenyl)phenyl]-3-methyl-5-phenylpyrazole
CID 174958286
3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole
CID 174958210
[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072345
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine
CID 153410207
5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 71225115
4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene
CID 139335896
1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
CID 10229029
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(2-phenylmethoxyethoxy)benzenecarboximidoyl fluoride
CID 67717933
2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene
CID 139335952
2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
CID 141089711
1-[5-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10186869

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole?
The IUPAC name of 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole (CID 175310022) is 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole.
What is the SMILES notation for 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole?
The canonical SMILES for 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole is COc1ccc(-c2ccccc2-n2nc(C)cc2-c2ccccc2)cc1OCCOCc1ccccc1.
What is the InChIKey of 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole?
The InChIKey is DSACUSKIPWFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-24-21-30(26-13-7-4-8-14-26)34(33-24)29-16-10-9-15-28(29)27-17-18-31(35-2)32(22-27)37-20-19-36-23-25-11-5-3-6-12-25/h3-18,21-22H,19-20,23H2,1-2H3.
What are the key properties of 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole?
1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole has a molecular weight of 490.60 g/mol, XLogP of 7.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole is sourced from PubChem (CID 175310022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).