1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole

C32H29ClN2O — CID 166175354

IUPAC1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccc(CCCOCc2ccccc2)cc1)n1cccn1
InChIInChI=1S/C32H29ClN2O/c33-31-17-8-7-16-30(31)32(35-23-10-22-34-35,28-14-5-2-6-15-28)29-20-18-26(19-21-29)13-9-24-36-25-27-11-3-1-4-12-27/h1-8,10-12,14-23H,9,13,24-25H2
InChIKeyUFBIGJWMNJEUNA-UHFFFAOYSA-N
MW493.05 g/mol
LogP7.53
Rot. Bonds10

About 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole

1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole (PubChem CID 166175354) has the molecular formula C32H29ClN2O and a molecular weight of 493.05 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole
PubChem CID166175354
Molecular FormulaC32H29ClN2O
Molecular Weight493.05 g/mol
Exact Mass492.20
IUPAC Name1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccc(CCCOCc2ccccc2)cc1)n1cccn1
InChIInChI=1S/C32H29ClN2O/c33-31-17-8-7-16-30(31)32(35-23-10-22-34-35,28-14-5-2-6-15-28)29-20-18-26(19-21-29)13-9-24-36-25-27-11-3-1-4-12-27/h1-8,10-12,14-23H,9,13,24-25H2
InChIKeyUFBIGJWMNJEUNA-UHFFFAOYSA-N
XLogP7.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.05
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine
CID 54429308
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine
CID 62467292
1-(11-phenylmethoxyundecyl)pyrazole
CID 171475049
1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole
CID 175419791
1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 12057030
1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
CID 101245088
4-(4-phenylbutoxymethyl)aniline
CID 114332885
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1-iodo-3,5-bis(3-phenylmethoxypropyl)benzene
CID 10907222
2-chloro-4-(2-phenylethoxymethyl)pyridine
CID 114999592
1-(3-phenylmethoxypropyl)imidazol-2-amine
CID 165466096

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole?
The IUPAC name of 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole (CID 166175354) is 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole is Clc1ccccc1C(c1ccccc1)(c1ccc(CCCOCc2ccccc2)cc1)n1cccn1.
What is the InChIKey of 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole?
The InChIKey is UFBIGJWMNJEUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN2O/c33-31-17-8-7-16-30(31)32(35-23-10-22-34-35,28-14-5-2-6-15-28)29-20-18-26(19-21-29)13-9-24-36-25-27-11-3-1-4-12-27/h1-8,10-12,14-23H,9,13,24-25H2.
What are the key properties of 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole?
1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole has a molecular weight of 493.05 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 166175354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).