N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide

C23H32N4O2 — CID 55756900

IUPACN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide
SMILESCC(C)(C)c1ccc(Cn2nccc2NC(=O)CN2CCCCCCC2=O)cc1
InChIInChI=1S/C23H32N4O2/c1-23(2,3)19-11-9-18(10-12-19)16-27-20(13-14-24-27)25-21(28)17-26-15-7-5-4-6-8-22(26)29/h9-14H,4-8,15-17H2,1-3H3,(H,25,28)
InChIKeyUHHZNIZBQQDMAB-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.96
Rot. Bonds5

About N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide (PubChem CID 55756900) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide
PubChem CID55756900
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide
SMILESCC(C)(C)c1ccc(Cn2nccc2NC(=O)CN2CCCCCCC2=O)cc1
InChIInChI=1S/C23H32N4O2/c1-23(2,3)19-11-9-18(10-12-19)16-27-20(13-14-24-27)25-21(28)17-26-15-7-5-4-6-8-22(26)29/h9-14H,4-8,15-17H2,1-3H3,(H,25,28)
InChIKeyUHHZNIZBQQDMAB-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 60607141
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55395938
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 52684518
2-(2-oxopiperidin-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 134707822
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide
CID 9218948
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
CID 27832039
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 55760969
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide
CID 134048943
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 34078119
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 34078100
2-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]benzamide
CID 27832017

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide (CID 55756900) is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide is CC(C)(C)c1ccc(Cn2nccc2NC(=O)CN2CCCCCCC2=O)cc1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide?
The InChIKey is UHHZNIZBQQDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-23(2,3)19-11-9-18(10-12-19)16-27-20(13-14-24-27)25-21(28)17-26-15-7-5-4-6-8-22(26)29/h9-14H,4-8,15-17H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide?
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide has a molecular weight of 396.54 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide is sourced from PubChem (CID 55756900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).