N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide

C27H25ClFN3O2 — CID 51069537

IUPACN-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide
SMILESCCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C27H25ClFN3O2/c1-3-16-31(26(33)20-8-7-9-22(29)17-20)18-25-19(2)30-32(23-10-5-4-6-11-23)27(25)34-24-14-12-21(28)13-15-24/h4-15,17H,3,16,18H2,1-2H3
InChIKeyXZXAMIIMRSLLFC-UHFFFAOYSA-N
MW477.97 g/mol
LogP6.82
Rot. Bonds8

About N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide

N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide (PubChem CID 51069537) has the molecular formula C27H25ClFN3O2 and a molecular weight of 477.97 g/mol. Its IUPAC name is N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide
PubChem CID51069537
Molecular FormulaC27H25ClFN3O2
Molecular Weight477.97 g/mol
Exact Mass477.16
IUPAC NameN-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide
SMILESCCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C27H25ClFN3O2/c1-3-16-31(26(33)20-8-7-9-22(29)17-20)18-25-19(2)30-32(23-10-5-4-6-11-23)27(25)34-24-14-12-21(28)13-15-24/h4-15,17H,3,16,18H2,1-2H3
InChIKeyXZXAMIIMRSLLFC-UHFFFAOYSA-N
XLogP6.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide 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

N-benzyl-1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 44448521
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448560
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2,6-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448561
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(3-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448562
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methyl-N-phenylpyrazole-3-carboxamide
CID 44448598
(3-Chloro-2-fluorophenyl)-[3-(3-piperidin-1-ylpropoxy)indazol-1-yl]methanone
CID 153979973
5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 1486875
3-[(4-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]benzamide
CID 5075158
N-{3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-1-methyl-prop-2-ynyl}-N-hydroxy-benzamide
CID 44385978
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 60168043
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 71698083
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 71698176

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide?
The IUPAC name of N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide (CID 51069537) is N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide?
The canonical SMILES for N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide is CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide?
The InChIKey is XZXAMIIMRSLLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN3O2/c1-3-16-31(26(33)20-8-7-9-22(29)17-20)18-25-19(2)30-32(23-10-5-4-6-11-23)27(25)34-24-14-12-21(28)13-15-24/h4-15,17H,3,16,18H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide?
N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide has a molecular weight of 477.97 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-fluoro-N-propylbenzamide is sourced from PubChem (CID 51069537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).