N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide

C13H15BrN4O2 — CID 61034761

IUPACN-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCn1cc(Br)cn1
InChIInChI=1S/C13H15BrN4O2/c1-20-12-6-10(15)2-3-11(12)17-13(19)4-5-18-8-9(14)7-16-18/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyCTGUFVRIXAZDRH-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.27
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide

N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide (PubChem CID 61034761) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide
PubChem CID61034761
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCn1cc(Br)cn1
InChIInChI=1S/C13H15BrN4O2/c1-20-12-6-10(15)2-3-11(12)17-13(19)4-5-18-8-9(14)7-16-18/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyCTGUFVRIXAZDRH-UHFFFAOYSA-N
XLogP2.27
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide
CID 61035267
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213
N-(4-amino-2-chlorophenyl)-4-(4-bromopyrazol-1-yl)butanamide
CID 61035006
N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 61384763
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19561636
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
CID 28786654
N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16792339
3-(4-chloropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19542063
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287035
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide (CID 61034761) is N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide is COc1cc(N)ccc1NC(=O)CCn1cc(Br)cn1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide?
The InChIKey is CTGUFVRIXAZDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-20-12-6-10(15)2-3-11(12)17-13(19)4-5-18-8-9(14)7-16-18/h2-3,6-8H,4-5,15H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide?
N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide has a molecular weight of 339.19 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide is sourced from PubChem (CID 61034761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).