N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide

C14H17BrN4O2 — CID 61035267

IUPACN-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCn1cc(Br)cn1
InChIInChI=1S/C14H17BrN4O2/c1-21-13-5-4-11(16)7-12(13)18-14(20)3-2-6-19-9-10(15)8-17-19/h4-5,7-9H,2-3,6,16H2,1H3,(H,18,20)
InChIKeyUQNGRSBUTQHSAE-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.66
Rot. Bonds6

About N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide

N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide (PubChem CID 61035267) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide
PubChem CID61035267
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC NameN-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCn1cc(Br)cn1
InChIInChI=1S/C14H17BrN4O2/c1-21-13-5-4-11(16)7-12(13)18-14(20)3-2-6-19-9-10(15)8-17-19/h4-5,7-9H,2-3,6,16H2,1H3,(H,18,20)
InChIKeyUQNGRSBUTQHSAE-UHFFFAOYSA-N
XLogP2.66
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.66
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-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 61034761
N-(4-amino-2-chlorophenyl)-4-(4-bromopyrazol-1-yl)butanamide
CID 61035006
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide
CID 62917024
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446037
N-(5-amino-2-methoxyphenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 62351959
N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47354774
N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47317633

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide (CID 61035267) is N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide is COc1ccc(N)cc1NC(=O)CCCn1cc(Br)cn1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide?
The InChIKey is UQNGRSBUTQHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-21-13-5-4-11(16)7-12(13)18-14(20)3-2-6-19-9-10(15)8-17-19/h4-5,7-9H,2-3,6,16H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide?
N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide has a molecular weight of 353.22 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide is sourced from PubChem (CID 61035267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).