1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea

C15H24N4O2 — CID 126854298

IUPAC1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea
SMILESO=C(NC1CCOCC1)NC1CCC(n2cccn2)CC1
InChIInChI=1S/C15H24N4O2/c20-15(18-13-6-10-21-11-7-13)17-12-2-4-14(5-3-12)19-9-1-8-16-19/h1,8-9,12-14H,2-7,10-11H2,(H2,17,18,20)
InChIKeyKLQBEMRNIUDORP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.85
Rot. Bonds3

About 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea

1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea (PubChem CID 126854298) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea
PubChem CID126854298
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea
SMILESO=C(NC1CCOCC1)NC1CCC(n2cccn2)CC1
InChIInChI=1S/C15H24N4O2/c20-15(18-13-6-10-21-11-7-13)17-12-2-4-14(5-3-12)19-9-1-8-16-19/h1,8-9,12-14H,2-7,10-11H2,(H2,17,18,20)
InChIKeyKLQBEMRNIUDORP-UHFFFAOYSA-N
XLogP1.85
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide
CID 175640669
(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide
CID 164632830
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126851731
2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126855667
N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide
CID 175644633
1-(oxan-4-yl)-3-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]urea
CID 126935296
1-cyclopentylpyrazole
CID 10844435
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596
4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide
CID 175644530
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride
CID 171992327

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea?
The IUPAC name of 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea (CID 126854298) is 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea?
The canonical SMILES for 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea is O=C(NC1CCOCC1)NC1CCC(n2cccn2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea?
The InChIKey is KLQBEMRNIUDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-15(18-13-6-10-21-11-7-13)17-12-2-4-14(5-3-12)19-9-1-8-16-19/h1,8-9,12-14H,2-7,10-11H2,(H2,17,18,20).
What are the key properties of 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea?
1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea has a molecular weight of 292.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea is sourced from PubChem (CID 126854298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).