2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide

C14H17BrN4O — CID 45153789

IUPAC2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N(C)C)cc1)n1cc(Br)cn1
InChIInChI=1S/C14H17BrN4O/c1-10(19-9-11(15)8-16-19)14(20)17-12-4-6-13(7-5-12)18(2)3/h4-10H,1-3H3,(H,17,20)
InChIKeyUQXHGVRRXPOWJP-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 45153789) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID45153789
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N(C)C)cc1)n1cc(Br)cn1
InChIInChI=1S/C14H17BrN4O/c1-10(19-9-11(15)8-16-19)14(20)17-12-4-6-13(7-5-12)18(2)3/h4-10H,1-3H3,(H,17,20)
InChIKeyUQXHGVRRXPOWJP-UHFFFAOYSA-N
XLogP2.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromopyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19537517
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
1-[1-[4-(diethylamino)anilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504874
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19406207
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 45153767
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 45153796
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183
2-(4-aminopyrazol-1-yl)-N-phenylpropanamide
CID 43116751

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide (CID 45153789) is 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide is CC(C(=O)Nc1ccc(N(C)C)cc1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is UQXHGVRRXPOWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-10(19-9-11(15)8-16-19)14(20)17-12-4-6-13(7-5-12)18(2)3/h4-10H,1-3H3,(H,17,20).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 337.22 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 45153789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).