2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide

C14H12BrN5O — CID 116782974

IUPAC2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2cccc3cc(Br)cnc23)c1
InChIInChI=1S/C14H12BrN5O/c15-10-4-9-2-1-3-12(14(9)17-5-10)19-13(21)8-20-7-11(16)6-18-20/h1-7H,8,16H2,(H,19,21)
InChIKeyJTEQAJYSEWTYIB-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide

2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide (PubChem CID 116782974) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide
PubChem CID116782974
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2cccc3cc(Br)cnc23)c1
InChIInChI=1S/C14H12BrN5O/c15-10-4-9-2-1-3-12(14(9)17-5-10)19-13(21)8-20-7-11(16)6-18-20/h1-7H,8,16H2,(H,19,21)
InChIKeyJTEQAJYSEWTYIB-UHFFFAOYSA-N
XLogP2.41
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide
CID 116784723
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
CID 60790791
2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519
2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81262636
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208586
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
3-amino-N-(3-bromoquinolin-8-yl)-1H-1,2,4-triazole-5-carboxamide
CID 116784345
2-(4-aminopyrazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 155962162

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide (CID 116782974) is 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide is Nc1cnn(CC(=O)Nc2cccc3cc(Br)cnc23)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide?
The InChIKey is JTEQAJYSEWTYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c15-10-4-9-2-1-3-12(14(9)17-5-10)19-13(21)8-20-7-11(16)6-18-20/h1-7H,8,16H2,(H,19,21).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide has a molecular weight of 346.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide is sourced from PubChem (CID 116782974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).