2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide

C27H25Cl2N3O3 — CID 51069611

IUPAC2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)c1ccccc1Cl
InChIInChI=1S/C27H25Cl2N3O3/c1-31-27(35-24-15-9-8-14-23(24)29)21(25(30-31)19-10-4-3-5-11-19)18-32(16-17-34-2)26(33)20-12-6-7-13-22(20)28/h3-15H,16-18H2,1-2H3
InChIKeyUBSQAIBLBUGOSR-UHFFFAOYSA-N
MW510.42 g/mol
LogP6.47
Rot. Bonds9

About 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide

2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 51069611) has the molecular formula C27H25Cl2N3O3 and a molecular weight of 510.42 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
PubChem CID51069611
Molecular FormulaC27H25Cl2N3O3
Molecular Weight510.42 g/mol
Exact Mass509.13
IUPAC Name2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)c1ccccc1Cl
InChIInChI=1S/C27H25Cl2N3O3/c1-31-27(35-24-15-9-8-14-23(24)29)21(25(30-31)19-10-4-3-5-11-19)18-32(16-17-34-2)26(33)20-12-6-7-13-22(20)28/h3-15H,16-18H2,1-2H3
InChIKeyUBSQAIBLBUGOSR-UHFFFAOYSA-N
XLogP6.47
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.42
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(cyclopropylmethyl)-N-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069185
(2R)-1-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93218507
N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 51069639
2-chloro-N-[[5-(dimethylamino)-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 51068306
1-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-1-(cyclopropylmethyl)-3-propan-2-ylurea
CID 51069834
4-fluoro-N-(2-methoxyethyl)-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069766
2-chloro-N-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98404553
N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 51069626
(2S)-1-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propan-2-ylamino]propan-2-ol
CID 93224582
2-chloro-N-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 71958625
2-[2-methoxyethyl-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol
CID 42843207
(2R)-1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
CID 93219452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide (CID 51069611) is 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide is COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is UBSQAIBLBUGOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O3/c1-31-27(35-24-15-9-8-14-23(24)29)21(25(30-31)19-10-4-3-5-11-19)18-32(16-17-34-2)26(33)20-12-6-7-13-22(20)28/h3-15H,16-18H2,1-2H3.
What are the key properties of 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide?
2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 510.42 g/mol, XLogP of 6.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 51069611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).