1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea

C18H24N4O2 — CID 131915991

IUPAC1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
SMILESCOc1ccccc1-n1cc(CNC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C18H24N4O2/c1-24-17-10-6-5-9-16(17)22-13-14(12-20-22)11-19-18(23)21-15-7-3-2-4-8-15/h5-6,9-10,12-13,15H,2-4,7-8,11H2,1H3,(H2,19,21,23)
InChIKeyHGWKSLKNCMSIID-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.01
Rot. Bonds5

About 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea

1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea (PubChem CID 131915991) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
PubChem CID131915991
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
SMILESCOc1ccccc1-n1cc(CNC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C18H24N4O2/c1-24-17-10-6-5-9-16(17)22-13-14(12-20-22)11-19-18(23)21-15-7-3-2-4-8-15/h5-6,9-10,12-13,15H,2-4,7-8,11H2,1H3,(H2,19,21,23)
InChIKeyHGWKSLKNCMSIID-UHFFFAOYSA-N
XLogP3.01
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 118792786
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125443355
(9R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125176421
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine
CID 95149374
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154892390
2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 86284011
(2R)-2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 99971690
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438626

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea (CID 131915991) is 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea is COc1ccccc1-n1cc(CNC(=O)NC2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea?
The InChIKey is HGWKSLKNCMSIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-17-10-6-5-9-16(17)22-13-14(12-20-22)11-19-18(23)21-15-7-3-2-4-8-15/h5-6,9-10,12-13,15H,2-4,7-8,11H2,1H3,(H2,19,21,23).
What are the key properties of 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea?
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea is sourced from PubChem (CID 131915991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).