2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide

C25H23ClN4O2 — CID 60604754

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C25H23ClN4O2/c1-25(2,32-22-10-8-20(26)9-11-22)24(31)28-16-19-17-30(21-6-4-3-5-7-21)29-23(19)18-12-14-27-15-13-18/h3-15,17H,16H2,1-2H3,(H,28,31)
InChIKeyRZNRSOIAXUQFQQ-UHFFFAOYSA-N
MW446.94 g/mol
LogP5.06
Rot. Bonds7

About 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide (PubChem CID 60604754) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
PubChem CID60604754
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C25H23ClN4O2/c1-25(2,32-22-10-8-20(26)9-11-22)24(31)28-16-19-17-30(21-6-4-3-5-7-21)29-23(19)18-12-14-27-15-13-18/h3-15,17H,16H2,1-2H3,(H,28,31)
InChIKeyRZNRSOIAXUQFQQ-UHFFFAOYSA-N
XLogP5.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 19290303
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
CID 49013444
2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 119870904
CID 67048003
CID 67048003
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]isoquinoline-1-carboxamide
CID 52822334
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 60604723

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide (CID 60604754) is 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide?
The InChIKey is RZNRSOIAXUQFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-25(2,32-22-10-8-20(26)9-11-22)24(31)28-16-19-17-30(21-6-4-3-5-7-21)29-23(19)18-12-14-27-15-13-18/h3-15,17H,16H2,1-2H3,(H,28,31).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide has a molecular weight of 446.94 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 60604754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).