1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea

C18H18N4O2 — CID 17266369

IUPAC1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-16-9-7-15(8-10-16)19-18(23)20-17-11-12-22(21-17)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,19,20,21,23)
InChIKeyZZJFYGFWADQVKS-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.58
Rot. Bonds5

About 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea

1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea (PubChem CID 17266369) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
PubChem CID17266369
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-16-9-7-15(8-10-16)19-18(23)20-17-11-12-22(21-17)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,19,20,21,23)
InChIKeyZZJFYGFWADQVKS-UHFFFAOYSA-N
XLogP3.58
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 167836219
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274063
1-(4-methylsulfanylphenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 99836283
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide
CID 136533551
N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 47062558
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403231
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103626
2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400990

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea (CID 17266369) is 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccn(Cc3ccccc3)n2)cc1.
What is the InChIKey of 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is ZZJFYGFWADQVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-16-9-7-15(8-10-16)19-18(23)20-17-11-12-22(21-17)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea?
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 17266369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).