1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C18H18N4O2 — CID 68566333

IUPAC1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-17-8-2-13(3-9-17)10-19-18(23)22-16-6-4-14(5-7-16)15-11-20-21-12-15/h2-9,11-12H,10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyUBCLXFCVXPUWOM-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.41
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68566333) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID68566333
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-17-8-2-13(3-9-17)10-19-18(23)22-16-6-4-14(5-7-16)15-11-20-21-12-15/h2-9,11-12H,10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyUBCLXFCVXPUWOM-UHFFFAOYSA-N
XLogP3.41
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 68566333) is 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is COc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is UBCLXFCVXPUWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-17-8-2-13(3-9-17)10-19-18(23)22-16-6-4-14(5-7-16)15-11-20-21-12-15/h2-9,11-12H,10H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68566333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).