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

C19H20N4O2 — CID 68566340

IUPAC3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1cccc(CNC(=O)N(C)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-23(17-8-6-15(7-9-17)16-12-21-22-13-16)19(24)20-11-14-4-3-5-18(10-14)25-2/h3-10,12-13H,11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyBFWDLBUQYIGLSM-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.43
Rot. Bonds5

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

3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68566340) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID68566340
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1cccc(CNC(=O)N(C)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-23(17-8-6-15(7-9-17)16-12-21-22-13-16)19(24)20-11-14-4-3-5-18(10-14)25-2/h3-10,12-13H,11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyBFWDLBUQYIGLSM-UHFFFAOYSA-N
XLogP3.43
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 68566340) is 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea is COc1cccc(CNC(=O)N(C)c2ccc(-c3cn[nH]c3)cc2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is BFWDLBUQYIGLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23(17-8-6-15(7-9-17)16-12-21-22-13-16)19(24)20-11-14-4-3-5-18(10-14)25-2/h3-10,12-13H,11H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68566340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).