N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C19H20BrN3O2 — CID 146021962

IUPACN-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(CCO)c(C)c1CC(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C19H20BrN3O2/c1-12-17(13(2)23(22-12)8-9-24)11-19(25)21-15-6-7-16-14(10-15)4-3-5-18(16)20/h3-7,10,24H,8-9,11H2,1-2H3,(H,21,25)
InChIKeyFAULHQJLDZPIEI-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.59
Rot. Bonds5

About N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 146021962) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID146021962
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC NameN-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(CCO)c(C)c1CC(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C19H20BrN3O2/c1-12-17(13(2)23(22-12)8-9-24)11-19(25)21-15-6-7-16-14(10-15)4-3-5-18(16)20/h3-7,10,24H,8-9,11H2,1-2H3,(H,21,25)
InChIKeyFAULHQJLDZPIEI-UHFFFAOYSA-N
XLogP3.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 146021420
N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 146021965
N-(5-bromonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide
CID 146022091
2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905723
N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 146022041
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
1-(5-bromonaphthalen-2-yl)-3-methylurea
CID 146021922
N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 146022108
5-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-methylbenzoic acid
CID 119255166
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide
CID 146022047
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)acetamide
CID 134050845

Frequently Asked Questions

What is the IUPAC name of N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 146021962) is N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(CCO)c(C)c1CC(=O)Nc1ccc2c(Br)cccc2c1.
What is the InChIKey of N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is FAULHQJLDZPIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-12-17(13(2)23(22-12)8-9-24)11-19(25)21-15-6-7-16-14(10-15)4-3-5-18(16)20/h3-7,10,24H,8-9,11H2,1-2H3,(H,21,25).
What are the key properties of N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 402.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 146021962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).