1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea

C19H20N4O2 — CID 68560881

IUPAC1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3C)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-13-18(12-21-23-13)15-6-8-16(9-7-15)22-19(24)20-11-14-4-3-5-17(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyUNTHSXKVNOYBRL-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.72
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea

1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68560881) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea
PubChem CID68560881
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3C)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-13-18(12-21-23-13)15-6-8-16(9-7-15)22-19(24)20-11-14-4-3-5-17(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyUNTHSXKVNOYBRL-UHFFFAOYSA-N
XLogP3.72
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea (CID 68560881) is 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea is COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3C)cc2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is UNTHSXKVNOYBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-18(12-21-23-13)15-6-8-16(9-7-15)22-19(24)20-11-14-4-3-5-17(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea?
1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68560881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).