(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone

C14H16BrN3O — CID 114642301

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ncc(C)cc1C
InChIInChI=1S/C14H16BrN3O/c1-4-5-18-13(11(15)8-17-18)14(19)12-10(3)6-9(2)7-16-12/h6-8H,4-5H2,1-3H3
InChIKeyJXUGYRSYDMWHIE-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.30
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone (PubChem CID 114642301) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
PubChem CID114642301
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ncc(C)cc1C
InChIInChI=1S/C14H16BrN3O/c1-4-5-18-13(11(15)8-17-18)14(19)12-10(3)6-9(2)7-16-12/h6-8H,4-5H2,1-3H3
InChIKeyJXUGYRSYDMWHIE-UHFFFAOYSA-N
XLogP3.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114642302
(4-bromo-1-propylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanone
CID 114639597
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanone
CID 105130493
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802906
(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641947
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642221
(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
CID 114640203
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 115806108
(4-amino-3,5-dichlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114671119
(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642305

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone (CID 114642301) is (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone is CCCn1ncc(Br)c1C(=O)c1ncc(C)cc1C.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone?
The InChIKey is JXUGYRSYDMWHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-5-18-13(11(15)8-17-18)14(19)12-10(3)6-9(2)7-16-12/h6-8H,4-5H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone has a molecular weight of 322.21 g/mol, XLogP of 3.30, 4 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)-(3,5-dimethyl-2-pyridinyl)methanone is sourced from PubChem (CID 114642301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).