[4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone

C19H18BrN2O5P — CID 53483562

IUPAC[4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2n[nH]c(P(=O)(OC)OC)c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H18BrN2O5P/c1-25-15-10-6-13(7-11-15)18(23)17-16(12-4-8-14(20)9-5-12)19(22-21-17)28(24,26-2)27-3/h4-11H,1-3H3,(H,21,22)
InChIKeyORIZZMSKSOKLRT-UHFFFAOYSA-N
MW465.24 g/mol
LogP4.19
Rot. Bonds7

About [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone

[4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 53483562) has the molecular formula C19H18BrN2O5P and a molecular weight of 465.24 g/mol. Its IUPAC name is [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID53483562
Molecular FormulaC19H18BrN2O5P
Molecular Weight465.24 g/mol
Exact Mass464.01
IUPAC Name[4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2n[nH]c(P(=O)(OC)OC)c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H18BrN2O5P/c1-25-15-10-6-13(7-11-15)18(23)17-16(12-4-8-14(20)9-5-12)19(22-21-17)28(24,26-2)27-3/h4-11H,1-3H3,(H,21,22)
InChIKeyORIZZMSKSOKLRT-UHFFFAOYSA-N
XLogP4.19
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone
CID 135413871
[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 164676439
4-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888184
(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
CID 170712986
[3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone
CID 100977174
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-bromophenyl)-[4-(4-methoxyphenyl)-1,2-dimethyl-5-nitro-6-phenylpyridin-1-ium-3-yl]methanone
CID 171905041
(4-bromophenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 100980640

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone (CID 53483562) is [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2n[nH]c(P(=O)(OC)OC)c2-c2ccc(Br)cc2)cc1.
What is the InChIKey of [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is ORIZZMSKSOKLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN2O5P/c1-25-15-10-6-13(7-11-15)18(23)17-16(12-4-8-14(20)9-5-12)19(22-21-17)28(24,26-2)27-3/h4-11H,1-3H3,(H,21,22).
What are the key properties of [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone?
[4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 465.24 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53483562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).