(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone

C15H18BrN3O — CID 105130506

IUPAC(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18BrN3O/c1-4-9-19-14(13(16)10-17-19)15(20)11-5-7-12(8-6-11)18(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyDGHVFDIANMZCIK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.35
Rot. Bonds5

About (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone

(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone (PubChem CID 105130506) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
PubChem CID105130506
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18BrN3O/c1-4-9-19-14(13(16)10-17-19)15(20)11-5-7-12(8-6-11)18(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyDGHVFDIANMZCIK-UHFFFAOYSA-N
XLogP3.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115804628
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromophenyl)methanone
CID 114638819
(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641947
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
CID 114641322
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-amino-3,5-dichlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114671119
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
[4-(dimethylamino)phenyl]-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105132998
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642221
(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
CID 114640203

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone (CID 105130506) is (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone is CCCn1ncc(Br)c1C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone?
The InChIKey is DGHVFDIANMZCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-9-19-14(13(16)10-17-19)15(20)11-5-7-12(8-6-11)18(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone?
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone has a molecular weight of 336.23 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 105130506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).