4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide

C15H18BrN3O2 — CID 103830443

IUPAC4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(Br)c(O)c2)n1
InChIInChI=1S/C15H18BrN3O2/c1-10-8-11(2)19(18-10)7-3-6-17-15(21)12-4-5-13(16)14(20)9-12/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21)
InChIKeyWDDWHLQWTDUVPW-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.79
Rot. Bonds5

About 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide

4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide (PubChem CID 103830443) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
PubChem CID103830443
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(Br)c(O)c2)n1
InChIInChI=1S/C15H18BrN3O2/c1-10-8-11(2)19(18-10)7-3-6-17-15(21)12-4-5-13(16)14(20)9-12/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21)
InChIKeyWDDWHLQWTDUVPW-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536108
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293753
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-4-carboxamide
CID 115599440

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide (CID 103830443) is 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide is Cc1cc(C)n(CCCNC(=O)c2ccc(Br)c(O)c2)n1.
What is the InChIKey of 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide?
The InChIKey is WDDWHLQWTDUVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-8-11(2)19(18-10)7-3-6-17-15(21)12-4-5-13(16)14(20)9-12/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21).
What are the key properties of 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide?
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide has a molecular weight of 352.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide is sourced from PubChem (CID 103830443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).