3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

C15H19BrN4O — CID 114536108

IUPAC3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(N)cc(Br)c2)n1
InChIInChI=1S/C15H19BrN4O/c1-10-6-11(2)20(19-10)5-3-4-18-15(21)12-7-13(16)9-14(17)8-12/h6-9H,3-5,17H2,1-2H3,(H,18,21)
InChIKeySWMQRWYTDWVVLT-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.66
Rot. Bonds5

About 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (PubChem CID 114536108) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
PubChem CID114536108
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(N)cc(Br)c2)n1
InChIInChI=1S/C15H19BrN4O/c1-10-6-11(2)20(19-10)5-3-4-18-15(21)12-7-13(16)9-14(17)8-12/h6-9H,3-5,17H2,1-2H3,(H,18,21)
InChIKeySWMQRWYTDWVVLT-UHFFFAOYSA-N
XLogP2.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-4-carboxamide
CID 115599440
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
CID 103830443
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895723
3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide
CID 35760932
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (CID 114536108) is 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is Cc1cc(C)n(CCCNC(=O)c2cc(N)cc(Br)c2)n1.
What is the InChIKey of 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The InChIKey is SWMQRWYTDWVVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-10-6-11(2)20(19-10)5-3-4-18-15(21)12-7-13(16)9-14(17)8-12/h6-9H,3-5,17H2,1-2H3,(H,18,21).
What are the key properties of 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide has a molecular weight of 351.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 114536108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).