(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone

C15H24BrN3O — CID 114669191

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)C1(CCC)CCCNC1
InChIInChI=1S/C15H24BrN3O/c1-3-6-15(7-5-8-17-11-15)14(20)13-12(16)10-18-19(13)9-4-2/h10,17H,3-9,11H2,1-2H3
InChIKeyAVKZYTOOCIQRPT-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.41
Rot. Bonds6

About (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 114669191) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
PubChem CID114669191
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)C1(CCC)CCCNC1
InChIInChI=1S/C15H24BrN3O/c1-3-6-15(7-5-8-17-11-15)14(20)13-12(16)10-18-19(13)9-4-2/h10,17H,3-9,11H2,1-2H3
InChIKeyAVKZYTOOCIQRPT-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone
CID 114669166
(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669204
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
CID 114669197
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669187
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
(3-ethylpyrrolidin-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114669216
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669209
[1-(aminomethyl)cyclohexyl]-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670687
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 114692008
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
(3-ethylpiperidin-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 116568468

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone (CID 114669191) is (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone is CCCn1ncc(Br)c1C(=O)C1(CCC)CCCNC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is AVKZYTOOCIQRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-3-6-15(7-5-8-17-11-15)14(20)13-12(16)10-18-19(13)9-4-2/h10,17H,3-9,11H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 342.28 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 114669191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).