1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea

C23H19BrN4O2 — CID 1052133

IUPAC1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C23H19BrN4O2/c1-30-20-12-10-19(11-13-20)28-22(15-21(27-28)16-6-3-2-4-7-16)26-23(29)25-18-9-5-8-17(24)14-18/h2-15H,1H3,(H2,25,26,29)
InChIKeyVXYWNGAWUCAGRW-UHFFFAOYSA-N
MW463.34 g/mol
LogP5.95
Rot. Bonds5

About 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea

1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea (PubChem CID 1052133) has the molecular formula C23H19BrN4O2 and a molecular weight of 463.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
PubChem CID1052133
Molecular FormulaC23H19BrN4O2
Molecular Weight463.34 g/mol
Exact Mass462.07
IUPAC Name1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C23H19BrN4O2/c1-30-20-12-10-19(11-13-20)28-22(15-21(27-28)16-6-3-2-4-7-16)26-23(29)25-18-9-5-8-17(24)14-18/h2-15H,1H3,(H2,25,26,29)
InChIKeyVXYWNGAWUCAGRW-UHFFFAOYSA-N
XLogP5.95
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
CID 102581194
N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
CID 46087824
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409
2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 50802659
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42731978
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173
3-methoxy-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42731959

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea (CID 1052133) is 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea is COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea?
The InChIKey is VXYWNGAWUCAGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O2/c1-30-20-12-10-19(11-13-20)28-22(15-21(27-28)16-6-3-2-4-7-16)26-23(29)25-18-9-5-8-17(24)14-18/h2-15H,1H3,(H2,25,26,29).
What are the key properties of 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea?
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea has a molecular weight of 463.34 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 1052133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).