1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea

C18H18N4O2 — CID 47040896

IUPAC1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-15-9-7-14(8-10-15)13-19-18(23)21-16-5-2-3-6-17(16)22-12-4-11-20-22/h2-12H,13H2,1H3,(H2,19,21,23)
InChIKeyVRBGYBAXQCDKGQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.20
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea

1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 47040896) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID47040896
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-15-9-7-14(8-10-15)13-19-18(23)21-16-5-2-3-6-17(16)22-12-4-11-20-22/h2-12H,13H2,1H3,(H2,19,21,23)
InChIKeyVRBGYBAXQCDKGQ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 55740997
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
1-(2-pyrazol-1-ylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47040921
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 52626682
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904
1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 112837785
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea (CID 47040896) is 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea is COc1ccc(CNC(=O)Nc2ccccc2-n2cccn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is VRBGYBAXQCDKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-15-9-7-14(8-10-15)13-19-18(23)21-16-5-2-3-6-17(16)22-12-4-11-20-22/h2-12H,13H2,1H3,(H2,19,21,23).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea?
1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 47040896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).