1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea

C18H24N4O4 — CID 90622367

IUPAC1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
SMILESCOc1cc(NC(=O)Nc2cnn(CC3CCOCC3)c2)cc(OC)c1
InChIInChI=1S/C18H24N4O4/c1-24-16-7-14(8-17(9-16)25-2)20-18(23)21-15-10-19-22(12-15)11-13-3-5-26-6-4-13/h7-10,12-13H,3-6,11H2,1-2H3,(H2,20,21,23)
InChIKeyMQFAZQRUQPIRAX-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.97
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea

1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea (PubChem CID 90622367) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
PubChem CID90622367
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
SMILESCOc1cc(NC(=O)Nc2cnn(CC3CCOCC3)c2)cc(OC)c1
InChIInChI=1S/C18H24N4O4/c1-24-16-7-14(8-17(9-16)25-2)20-18(23)21-15-10-19-22(12-15)11-13-3-5-26-6-4-13/h7-10,12-13H,3-6,11H2,1-2H3,(H2,20,21,23)
InChIKeyMQFAZQRUQPIRAX-UHFFFAOYSA-N
XLogP2.97
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622357
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-pentan-3-ylurea
CID 90622354
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-prop-2-enylurea
CID 90622375
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 124670470
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
CID 91918174
2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
CID 90622210
3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 71810179
3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
CID 90622084
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea (CID 90622367) is 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea is COc1cc(NC(=O)Nc2cnn(CC3CCOCC3)c2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is MQFAZQRUQPIRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-24-16-7-14(8-17(9-16)25-2)20-18(23)21-15-10-19-22(12-15)11-13-3-5-26-6-4-13/h7-10,12-13H,3-6,11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea?
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 360.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 90622367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).