2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C27H27ClN4O3 — CID 38112805

IUPAC2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)COc2cc(N3CCCC3)c3ccccc3c2Cl)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H27ClN4O3/c1-18-26(27(34)32(30(18)2)19-10-4-3-5-11-19)29-24(33)17-35-23-16-22(31-14-8-9-15-31)20-12-6-7-13-21(20)25(23)28/h3-7,10-13,16H,8-9,14-15,17H2,1-2H3,(H,29,33)
InChIKeyYCUJCPROXFESLZ-UHFFFAOYSA-N
MW490.99 g/mol
LogP4.91
Rot. Bonds6

About 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 38112805) has the molecular formula C27H27ClN4O3 and a molecular weight of 490.99 g/mol. Its IUPAC name is 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID38112805
Molecular FormulaC27H27ClN4O3
Molecular Weight490.99 g/mol
Exact Mass490.18
IUPAC Name2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)COc2cc(N3CCCC3)c3ccccc3c2Cl)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H27ClN4O3/c1-18-26(27(34)32(30(18)2)19-10-4-3-5-11-19)29-24(33)17-35-23-16-22(31-14-8-9-15-31)20-12-6-7-13-21(20)25(23)28/h3-7,10-13,16H,8-9,14-15,17H2,1-2H3,(H,29,33)
InChIKeyYCUJCPROXFESLZ-UHFFFAOYSA-N
XLogP4.91
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-formylphenoxy)acetamide
CID 7763073
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CID 7283899
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 2709614
2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 4819220
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-propanoylphenoxy)acetamide
CID 2709616
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469039
4-(2,4-dichlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 2257918
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2351322
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 8002058
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2363869
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 4786683
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 38112805) is 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)COc2cc(N3CCCC3)c3ccccc3c2Cl)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is YCUJCPROXFESLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O3/c1-18-26(27(34)32(30(18)2)19-10-4-3-5-11-19)29-24(33)17-35-23-16-22(31-14-8-9-15-31)20-12-6-7-13-21(20)25(23)28/h3-7,10-13,16H,8-9,14-15,17H2,1-2H3,(H,29,33).
What are the key properties of 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 490.99 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 38112805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).