1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea

C18H24N4O2 — CID 71808650

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2cc(C3CC3)n(C)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-22-17(14-5-6-14)11-15(21-22)12-20-18(23)19-10-9-13-3-7-16(24-2)8-4-13/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3,(H2,19,20,23)
InChIKeyGYCWHRSORITBEW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.35
Rot. Bonds7

About 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 71808650) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID71808650
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2cc(C3CC3)n(C)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-22-17(14-5-6-14)11-15(21-22)12-20-18(23)19-10-9-13-3-7-16(24-2)8-4-13/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3,(H2,19,20,23)
InChIKeyGYCWHRSORITBEW-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 71797550
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
CID 71808370
1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 86266319
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122278178
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60543673
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75478004
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 71808650) is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NCc2cc(C3CC3)n(C)n2)cc1.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is GYCWHRSORITBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-22-17(14-5-6-14)11-15(21-22)12-20-18(23)19-10-9-13-3-7-16(24-2)8-4-13/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 71808650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).