(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone

C15H17BrN2O2 — CID 114641947

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H17BrN2O2/c1-4-7-18-14(12(16)9-17-18)15(19)11-5-6-13(20-3)10(2)8-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyJNHMXYKVZKJXMI-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.60
Rot. Bonds5

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

(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 114641947) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID114641947
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H17BrN2O2/c1-4-7-18-14(12(16)9-17-18)15(19)11-5-6-13(20-3)10(2)8-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyJNHMXYKVZKJXMI-UHFFFAOYSA-N
XLogP3.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641952
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 115806182
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811009
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone
CID 115804636
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130506
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone
CID 115804705
(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115804628
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methanone
CID 115803584
(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
CID 115804609
(4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
CID 103373349

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone (CID 114641947) is (4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone is CCCn1ncc(Br)c1C(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is JNHMXYKVZKJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-4-7-18-14(12(16)9-17-18)15(19)11-5-6-13(20-3)10(2)8-11/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 337.22 g/mol, XLogP of 3.60, 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-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 114641947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).