(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone

C15H17BrN2O3 — CID 115804636

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H17BrN2O3/c1-4-7-18-14(12(16)9-17-18)15(19)11-6-5-10(20-2)8-13(11)21-3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyBDCYMDDKADYJPX-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.30
Rot. Bonds6

About (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 115804636) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone
PubChem CID115804636
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H17BrN2O3/c1-4-7-18-14(12(16)9-17-18)15(19)11-6-5-10(20-2)8-13(11)21-3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyBDCYMDDKADYJPX-UHFFFAOYSA-N
XLogP3.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641947
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dichlorophenyl)methanone
CID 115804491
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(2-amino-4-bromophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114670253
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802906
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 115806182
(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125364

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone (CID 115804636) is (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone is CCCn1ncc(Br)c1C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is BDCYMDDKADYJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-4-7-18-14(12(16)9-17-18)15(19)11-6-5-10(20-2)8-13(11)21-3/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 353.22 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 115804636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).