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

C24H22N4O2 — CID 42732916

IUPAC1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H22N4O2/c1-30-21-14-12-20(13-15-21)28-23(16-22(27-28)19-10-6-3-7-11-19)26-24(29)25-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,29)
InChIKeyGTPNAUGKZJWEAY-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.87
Rot. Bonds6

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

1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea (PubChem CID 42732916) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
PubChem CID42732916
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H22N4O2/c1-30-21-14-12-20(13-15-21)28-23(16-22(27-28)19-10-6-3-7-11-19)26-24(29)25-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,29)
InChIKeyGTPNAUGKZJWEAY-UHFFFAOYSA-N
XLogP4.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzylcarbamoyl(ethyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 42658160
2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4225378
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 1052133
N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
CID 46087824
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42741282
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
CID 102581194
2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 50802659
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42731978
N-ethyl-2,4-dimethoxy-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 1062184
N-ethyl-2-fluoro-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42731982
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea (CID 42732916) is 1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea is COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea?
The InChIKey is GTPNAUGKZJWEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-21-14-12-20(13-15-21)28-23(16-22(27-28)19-10-6-3-7-11-19)26-24(29)25-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,29).
What are the key properties of 1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea?
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea has a molecular weight of 398.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 42732916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).