4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C24H25N3O2 — CID 55841075

IUPAC4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C24H25N3O2/c28-23(21-10-9-18-3-1-2-4-20(18)15-21)11-12-24(29)25-16-17-5-7-19(8-6-17)22-13-14-26-27-22/h5-10,13-15H,1-4,11-12,16H2,(H,25,29)(H,26,27)
InChIKeyALPLGOVOWWCEKO-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.23
Rot. Bonds7

About 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 55841075) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID55841075
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C24H25N3O2/c28-23(21-10-9-18-3-1-2-4-20(18)15-21)11-12-24(29)25-16-17-5-7-19(8-6-17)22-13-14-26-27-22/h5-10,13-15H,1-4,11-12,16H2,(H,25,29)(H,26,27)
InChIKeyALPLGOVOWWCEKO-UHFFFAOYSA-N
XLogP4.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 34557995
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 9116198
1-benzyl-3-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]thiourea
CID 31529199
4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 56557998
4-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-N-(1H-pyrazol-5-yl)pentanamide
CID 86891042
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
N-[2-(4-aminophenyl)ethyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119547831
4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide
CID 27170949
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 55841075) is 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is ALPLGOVOWWCEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(21-10-9-18-3-1-2-4-20(18)15-21)11-12-24(29)25-16-17-5-7-19(8-6-17)22-13-14-26-27-22/h5-10,13-15H,1-4,11-12,16H2,(H,25,29)(H,26,27).
What are the key properties of 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 387.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 55841075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).