N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide

C15H21Br2N5O — CID 19551441

IUPACN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide
SMILESCCC(C(=O)NCCCn1nc(C)c(Br)c1C)n1cc(Br)cn1
InChIInChI=1S/C15H21Br2N5O/c1-4-13(22-9-12(16)8-19-22)15(23)18-6-5-7-21-11(3)14(17)10(2)20-21/h8-9,13H,4-7H2,1-3H3,(H,18,23)
InChIKeyXYAVNGVGMYIOOT-UHFFFAOYSA-N
MW447.18 g/mol
LogP3.38
Rot. Bonds7

About N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide (PubChem CID 19551441) has the molecular formula C15H21Br2N5O and a molecular weight of 447.18 g/mol. Its IUPAC name is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide
PubChem CID19551441
Molecular FormulaC15H21Br2N5O
Molecular Weight447.18 g/mol
Exact Mass445.01
IUPAC NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide
SMILESCCC(C(=O)NCCCn1nc(C)c(Br)c1C)n1cc(Br)cn1
InChIInChI=1S/C15H21Br2N5O/c1-4-13(22-9-12(16)8-19-22)15(23)18-6-5-7-21-11(3)14(17)10(2)20-21/h8-9,13H,4-7H2,1-3H3,(H,18,23)
InChIKeyXYAVNGVGMYIOOT-UHFFFAOYSA-N
XLogP3.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.18
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19537675
2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]butanamide
CID 19551425
2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 19549775
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-ethylpyrazole-4-carboxamide
CID 19281138
2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19537660
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]butanamide
CID 19338080
2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide
CID 19549741
2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19551491
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544
6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19581163
2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butanamide
CID 19551446
(E)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19330190

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide?
The IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide (CID 19551441) is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide.
What is the SMILES notation for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide?
The canonical SMILES for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide is CCC(C(=O)NCCCn1nc(C)c(Br)c1C)n1cc(Br)cn1.
What is the InChIKey of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide?
The InChIKey is XYAVNGVGMYIOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2N5O/c1-4-13(22-9-12(16)8-19-22)15(23)18-6-5-7-21-11(3)14(17)10(2)20-21/h8-9,13H,4-7H2,1-3H3,(H,18,23).
What are the key properties of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide?
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide has a molecular weight of 447.18 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide is sourced from PubChem (CID 19551441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).