1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea

C18H18N4O2 — CID 2544645

IUPAC1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c1-24-16-10-6-5-9-15(16)20-18(23)21-17-11-12-19-22(17)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,20,21,23)
InChIKeyHLXLRIHKIBUVEQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea

1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea (PubChem CID 2544645) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
PubChem CID2544645
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c1-24-16-10-6-5-9-15(16)20-18(23)21-17-11-12-19-22(17)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,20,21,23)
InChIKeyHLXLRIHKIBUVEQ-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

N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 39911481
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
(E)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 16564214
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
CID 7589756
(E)-N-(2-benzylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 8622969
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
CID 18126844
1-(2-methoxyphenyl)-3-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56756469
N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide
CID 9116244

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea (CID 2544645) is 1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is HLXLRIHKIBUVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-16-10-6-5-9-15(16)20-18(23)21-17-11-12-19-22(17)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea?
1-(2-benzylpyrazol-3-yl)-3-(2-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-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2544645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).