3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

C19H17Cl2N3O2 — CID 47065544

IUPAC3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESO=C(CCOc1cc(Cl)ccc1Cl)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H17Cl2N3O2/c20-15-6-7-17(21)18(10-15)26-9-8-19(25)22-11-14-12-23-24(13-14)16-4-2-1-3-5-16/h1-7,10,12-13H,8-9,11H2,(H,22,25)
InChIKeyCIARAUMNJYKQEM-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.26
Rot. Bonds7

About 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 47065544) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID47065544
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESO=C(CCOc1cc(Cl)ccc1Cl)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H17Cl2N3O2/c20-15-6-7-17(21)18(10-15)26-9-8-19(25)22-11-14-12-23-24(13-14)16-4-2-1-3-5-16/h1-7,10,12-13H,8-9,11H2,(H,22,25)
InChIKeyCIARAUMNJYKQEM-UHFFFAOYSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenoxybutanamide
CID 86968573
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 47035459
4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
CID 86968466
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47026270
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 87014722
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 47065544) is 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is O=C(CCOc1cc(Cl)ccc1Cl)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is CIARAUMNJYKQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-15-6-7-17(21)18(10-15)26-9-8-19(25)22-11-14-12-23-24(13-14)16-4-2-1-3-5-16/h1-7,10,12-13H,8-9,11H2,(H,22,25).
What are the key properties of 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 390.27 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 47065544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).