N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide

C26H27N3O2 — CID 1225812

IUPACN-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)cc1
InChIInChI=1S/C26H27N3O2/c1-18-26(27-25(30)16-13-20-11-14-23(31-3)15-12-20)19(2)29(28-18)17-22-9-6-8-21-7-4-5-10-24(21)22/h4-12,14-15H,13,16-17H2,1-3H3,(H,27,30)
InChIKeyJLDJFZBGLQCXNK-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.28
Rot. Bonds7

About N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide

N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 1225812) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID1225812
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)cc1
InChIInChI=1S/C26H27N3O2/c1-18-26(27-25(30)16-13-20-11-14-23(31-3)15-12-20)19(2)29(28-18)17-22-9-6-8-21-7-4-5-10-24(21)22/h4-12,14-15H,13,16-17H2,1-3H3,(H,27,30)
InChIKeyJLDJFZBGLQCXNK-UHFFFAOYSA-N
XLogP5.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 134712526
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506023
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 19337840
1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 2957512
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 39853103
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 2986824
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1017891
trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 1272887
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503785

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide (CID 1225812) is N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is JLDJFZBGLQCXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-26(27-25(30)16-13-20-11-14-23(31-3)15-12-20)19(2)29(28-18)17-22-9-6-8-21-7-4-5-10-24(21)22/h4-12,14-15H,13,16-17H2,1-3H3,(H,27,30).
What are the key properties of N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide?
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 413.52 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 1225812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).