1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea

C14H24N4O2 — CID 71856082

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
SMILESCCc1cc(NC(=O)N(C)CCOCC2CC2)n(C)n1
InChIInChI=1S/C14H24N4O2/c1-4-12-9-13(18(3)16-12)15-14(19)17(2)7-8-20-10-11-5-6-11/h9,11H,4-8,10H2,1-3H3,(H,15,19)
InChIKeyCSTOLMSBNNQEBE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.87
Rot. Bonds7

About 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea

1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea (PubChem CID 71856082) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
PubChem CID71856082
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
SMILESCCc1cc(NC(=O)N(C)CCOCC2CC2)n(C)n1
InChIInChI=1S/C14H24N4O2/c1-4-12-9-13(18(3)16-12)15-14(19)17(2)7-8-20-10-11-5-6-11/h9,11H,4-8,10H2,1-3H3,(H,15,19)
InChIKeyCSTOLMSBNNQEBE-UHFFFAOYSA-N
XLogP1.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butyl-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 2811754
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 51080220
1-(2,5-Dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 51080221
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 134797788
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076
N-(5-ethyl-2-methylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 72011791
N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72837841
1-[2-(Dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea
CID 75500177
1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea
CID 97276342
N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)-N'-(tetrahydrofuran-3-yl)urea
CID 118778096
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea
CID 125156866
(3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide
CID 164640824

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea (CID 71856082) is 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea is CCc1cc(NC(=O)N(C)CCOCC2CC2)n(C)n1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea?
The InChIKey is CSTOLMSBNNQEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-12-9-13(18(3)16-12)15-14(19)17(2)7-8-20-10-11-5-6-11/h9,11H,4-8,10H2,1-3H3,(H,15,19).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea?
1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea has a molecular weight of 280.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea is sourced from PubChem (CID 71856082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).