2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide

C25H23ClN4O3 — CID 17446948

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN4O3/c1-29(17-23(31)27-15-22-8-5-13-33-22)24(32)14-19-16-30(21-6-3-2-4-7-21)28-25(19)18-9-11-20(26)12-10-18/h2-13,16H,14-15,17H2,1H3,(H,27,31)
InChIKeyDSPDALNIIBMKCG-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.10
Rot. Bonds8

About 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 17446948) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID17446948
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN4O3/c1-29(17-23(31)27-15-22-8-5-13-33-22)24(32)14-19-16-30(21-6-3-2-4-7-21)28-25(19)18-9-11-20(26)12-10-18/h2-13,16H,14-15,17H2,1H3,(H,27,31)
InChIKeyDSPDALNIIBMKCG-UHFFFAOYSA-N
XLogP4.10
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 17425443
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 46467129
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 134049672
(1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
CID 8914987
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
CID 67048003
CID 67048003
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 86945803
N-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-2-oxoethyl]benzamide
CID 24547321
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 17472100
2-(4-acetamidophenyl)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylacetamide
CID 17439972
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-(2-methylpropyl)urea
CID 122160112

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide (CID 17446948) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)NCc1ccco1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is DSPDALNIIBMKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-29(17-23(31)27-15-22-8-5-13-33-22)24(32)14-19-16-30(21-6-3-2-4-7-21)28-25(19)18-9-11-20(26)12-10-18/h2-13,16H,14-15,17H2,1H3,(H,27,31).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 462.94 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 17446948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).