2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide

C24H22ClN5O3 — CID 46467129

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
SMILESCc1cc(NC(=O)CN(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)no1
InChIInChI=1S/C24H22ClN5O3/c1-16-12-21(28-33-16)26-22(31)15-29(2)23(32)13-18-14-30(20-6-4-3-5-7-20)27-24(18)17-8-10-19(25)11-9-17/h3-12,14H,13,15H2,1-2H3,(H,26,28,31)
InChIKeyUSNNUTMYSPOJPF-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.13
Rot. Bonds7

About 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide (PubChem CID 46467129) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
PubChem CID46467129
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
SMILESCc1cc(NC(=O)CN(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)no1
InChIInChI=1S/C24H22ClN5O3/c1-16-12-21(28-33-16)26-22(31)15-29(2)23(32)13-18-14-30(20-6-4-3-5-7-20)27-24(18)17-8-10-19(25)11-9-17/h3-12,14H,13,15H2,1-2H3,(H,26,28,31)
InChIKeyUSNNUTMYSPOJPF-UHFFFAOYSA-N
XLogP4.13
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 67048003
CID 67048003
2-(4-acetamidophenyl)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylacetamide
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ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 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) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide is Cc1cc(NC(=O)CN(C)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is USNNUTMYSPOJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-16-12-21(28-33-16)26-22(31)15-29(2)23(32)13-18-14-30(20-6-4-3-5-7-20)27-24(18)17-8-10-19(25)11-9-17/h3-12,14H,13,15H2,1-2H3,(H,26,28,31).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 463.93 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 46467129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).