3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide

C16H21BrN4O — CID 19561643

IUPAC3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCn2cc(Br)cn2)cc1
InChIInChI=1S/C16H21BrN4O/c1-3-20(4-2)15-7-5-14(6-8-15)19-16(22)9-10-21-12-13(17)11-18-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyWHDNUXFJEBSMTJ-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.52
Rot. Bonds7

About 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide

3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide (PubChem CID 19561643) has the molecular formula C16H21BrN4O and a molecular weight of 365.28 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
PubChem CID19561643
Molecular FormulaC16H21BrN4O
Molecular Weight365.28 g/mol
Exact Mass364.09
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCn2cc(Br)cn2)cc1
InChIInChI=1S/C16H21BrN4O/c1-3-20(4-2)15-7-5-14(6-8-15)19-16(22)9-10-21-12-13(17)11-18-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyWHDNUXFJEBSMTJ-UHFFFAOYSA-N
XLogP3.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.52
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

3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
3-[4-[[4-(diethylamino)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471097
N-(3-amino-4-chlorophenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 54909881
2-[3-[4-(diethylamino)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492024
3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19561636
3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 1231856
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800728
3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19395555
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide (CID 19561643) is 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCn2cc(Br)cn2)cc1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide?
The InChIKey is WHDNUXFJEBSMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O/c1-3-20(4-2)15-7-5-14(6-8-15)19-16(22)9-10-21-12-13(17)11-18-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,22).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide?
3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide has a molecular weight of 365.28 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide is sourced from PubChem (CID 19561643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).