1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide

C27H37N5O4 — CID 3237375

IUPAC1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(c1c(C)n(C)n(-c2ccccc2)c1=O)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C27H37N5O4/c1-19-24(25(35)32(30(19)3)22-14-6-4-7-15-22)31(23(34)18-28-20(2)33)27(16-10-5-11-17-27)26(36)29-21-12-8-9-13-21/h4,6-7,14-15,21H,5,8-13,16-18H2,1-3H3,(H,28,33)(H,29,36)
InChIKeyVHNMYEFXBGAMAE-UHFFFAOYSA-N
MW495.62 g/mol
LogP2.72
Rot. Bonds7

About 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide

1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide (PubChem CID 3237375) has the molecular formula C27H37N5O4 and a molecular weight of 495.62 g/mol. Its IUPAC name is 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide
PubChem CID3237375
Molecular FormulaC27H37N5O4
Molecular Weight495.62 g/mol
Exact Mass495.28
IUPAC Name1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(c1c(C)n(C)n(-c2ccccc2)c1=O)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C27H37N5O4/c1-19-24(25(35)32(30(19)3)22-14-6-4-7-15-22)31(23(34)18-28-20(2)33)27(16-10-5-11-17-27)26(36)29-21-12-8-9-13-21/h4,6-7,14-15,21H,5,8-13,16-18H2,1-3H3,(H,28,33)(H,29,36)
InChIKeyVHNMYEFXBGAMAE-UHFFFAOYSA-N
XLogP2.72
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide
CID 3596023
1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 4127526
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide
CID 23853815
N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide
CID 3893384
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide
CID 4209204
1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 5222480
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
N-cyclopentyl-1-[N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]anilino]cyclohexane-1-carboxamide
CID 4044421
cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
CID 24844248
N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
CID 4210660
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2106963
2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]-N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]benzamide
CID 166346099

Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide (CID 3237375) is 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide is CC(=O)NCC(=O)N(c1c(C)n(C)n(-c2ccccc2)c1=O)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The InChIKey is VHNMYEFXBGAMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O4/c1-19-24(25(35)32(30(19)3)22-14-6-4-7-15-22)31(23(34)18-28-20(2)33)27(16-10-5-11-17-27)26(36)29-21-12-8-9-13-21/h4,6-7,14-15,21H,5,8-13,16-18H2,1-3H3,(H,28,33)(H,29,36).
What are the key properties of 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide has a molecular weight of 495.62 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide is sourced from PubChem (CID 3237375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).