1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea

C18H24N4O2 — CID 56787676

IUPAC1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
SMILESC=CCOc1ccccc1CNC(=O)NC(C)c1cn(C)nc1C
InChIInChI=1S/C18H24N4O2/c1-5-10-24-17-9-7-6-8-15(17)11-19-18(23)20-13(2)16-12-22(4)21-14(16)3/h5-9,12-13H,1,10-11H2,2-4H3,(H2,19,20,23)
InChIKeyYEONIUJYTRFHSZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.85
Rot. Bonds7

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea (PubChem CID 56787676) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
PubChem CID56787676
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
SMILESC=CCOc1ccccc1CNC(=O)NC(C)c1cn(C)nc1C
InChIInChI=1S/C18H24N4O2/c1-5-10-24-17-9-7-6-8-15(17)11-19-18(23)20-13(2)16-12-22(4)21-14(16)3/h5-9,12-13H,1,10-11H2,2-4H3,(H2,19,20,23)
InChIKeyYEONIUJYTRFHSZ-UHFFFAOYSA-N
XLogP2.85
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 71990172
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 96518471
tert-butyl N-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoylamino]ethyl]-N-methylcarbamate
CID 95573082
2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
CID 119741052
2-methyl-N-[2-[[N'-methyl-N-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111556232
4-[(2-bromophenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466770
N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54950815
2-methyl-1-(1-phenylethyl)-3-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111982745
1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
CID 154849275

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea (CID 56787676) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea is C=CCOc1ccccc1CNC(=O)NC(C)c1cn(C)nc1C.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The InChIKey is YEONIUJYTRFHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-10-24-17-9-7-6-8-15(17)11-19-18(23)20-13(2)16-12-22(4)21-14(16)3/h5-9,12-13H,1,10-11H2,2-4H3,(H2,19,20,23).
What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea?
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea is sourced from PubChem (CID 56787676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).