1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea

C14H24N4O2 — CID 138043768

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea
SMILESCCc1cc(NC(=O)NC(C)C2CCOCC2)n(C)n1
InChIInChI=1S/C14H24N4O2/c1-4-12-9-13(18(3)17-12)16-14(19)15-10(2)11-5-7-20-8-6-11/h9-11H,4-8H2,1-3H3,(H2,15,16,19)
InChIKeyLKMOJVLUYSAKSW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.92
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea

1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea (PubChem CID 138043768) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea
PubChem CID138043768
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea
SMILESCCc1cc(NC(=O)NC(C)C2CCOCC2)n(C)n1
InChIInChI=1S/C14H24N4O2/c1-4-12-9-13(18(3)17-12)16-14(19)15-10(2)11-5-7-20-8-6-11/h9-11H,4-8H2,1-3H3,(H2,15,16,19)
InChIKeyLKMOJVLUYSAKSW-UHFFFAOYSA-N
XLogP1.92
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
CID 71967567
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111453629
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
CID 111859269
2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 120783566
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702012
1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea
CID 111422853
1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 75381215
3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine
CID 115927871
N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 111422829
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
CID 99841324

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea (CID 138043768) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea is CCc1cc(NC(=O)NC(C)C2CCOCC2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea?
The InChIKey is LKMOJVLUYSAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-12-9-13(18(3)17-12)16-14(19)15-10(2)11-5-7-20-8-6-11/h9-11H,4-8H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 138043768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).