3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea

C19H32N4O2 — CID 72887181

IUPAC3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea
SMILESCCN(CC1CCOCC1)C(=O)Nc1ccnn1CC1CCCCC1
InChIInChI=1S/C19H32N4O2/c1-2-22(14-17-9-12-25-13-10-17)19(24)21-18-8-11-20-23(18)15-16-6-4-3-5-7-16/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,21,24)
InChIKeySSIVZNYUJGEUAA-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.74
Rot. Bonds6

About 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea

3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea (PubChem CID 72887181) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea
PubChem CID72887181
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea
SMILESCCN(CC1CCOCC1)C(=O)Nc1ccnn1CC1CCCCC1
InChIInChI=1S/C19H32N4O2/c1-2-22(14-17-9-12-25-13-10-17)19(24)21-18-8-11-20-23(18)15-16-6-4-3-5-7-16/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,21,24)
InChIKeySSIVZNYUJGEUAA-UHFFFAOYSA-N
XLogP3.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea (CID 72887181) is 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea is CCN(CC1CCOCC1)C(=O)Nc1ccnn1CC1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea?
The InChIKey is SSIVZNYUJGEUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-2-22(14-17-9-12-25-13-10-17)19(24)21-18-8-11-20-23(18)15-16-6-4-3-5-7-16/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,21,24).
What are the key properties of 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea?
3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea has a molecular weight of 348.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylmethyl)pyrazol-3-yl]-1-ethyl-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 72887181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).