1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

C15H20N4O3 — CID 51084499

IUPAC1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCOc1ccc(CNC(=O)NC(C)Cn2cccn2)cc1O
InChIInChI=1S/C15H20N4O3/c1-11(10-19-7-3-6-17-19)18-15(21)16-9-12-4-5-14(22-2)13(20)8-12/h3-8,11,20H,9-10H2,1-2H3,(H2,16,18,21)
InChIKeyOTEVCWSGQXIQQN-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.49
Rot. Bonds6

About 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 51084499) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID51084499
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCOc1ccc(CNC(=O)NC(C)Cn2cccn2)cc1O
InChIInChI=1S/C15H20N4O3/c1-11(10-19-7-3-6-17-19)18-15(21)16-9-12-4-5-14(22-2)13(20)8-12/h3-8,11,20H,9-10H2,1-2H3,(H2,16,18,21)
InChIKeyOTEVCWSGQXIQQN-UHFFFAOYSA-N
XLogP1.49
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 51084499) is 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is COc1ccc(CNC(=O)NC(C)Cn2cccn2)cc1O.
What is the InChIKey of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is OTEVCWSGQXIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11(10-19-7-3-6-17-19)18-15(21)16-9-12-4-5-14(22-2)13(20)8-12/h3-8,11,20H,9-10H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 304.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 51084499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).