1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea

C17H22N4O2 — CID 125443355

IUPAC1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
SMILESCOc1ccccc1-n1cc([C@H](C)NC(=O)NC2CCC2)cn1
InChIInChI=1S/C17H22N4O2/c1-12(19-17(22)20-14-6-5-7-14)13-10-18-21(11-13)15-8-3-4-9-16(15)23-2/h3-4,8-12,14H,5-7H2,1-2H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyUEOMLYDATFRWFG-LBPRGKRZSA-N
MW314.39 g/mol
LogP2.79
Rot. Bonds5

About 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea

1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea (PubChem CID 125443355) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
PubChem CID125443355
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
SMILESCOc1ccccc1-n1cc([C@H](C)NC(=O)NC2CCC2)cn1
InChIInChI=1S/C17H22N4O2/c1-12(19-17(22)20-14-6-5-7-14)13-10-18-21(11-13)15-8-3-4-9-16(15)23-2/h3-4,8-12,14H,5-7H2,1-2H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyUEOMLYDATFRWFG-LBPRGKRZSA-N
XLogP2.79
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125445589
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991
2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97122212
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125444228
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366
1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125444856
N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131939708
3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea
CID 125436564
N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125165825
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71868289
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea?
The IUPAC name of 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea (CID 125443355) is 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea is COc1ccccc1-n1cc([C@H](C)NC(=O)NC2CCC2)cn1.
What is the InChIKey of 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea?
The InChIKey is UEOMLYDATFRWFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(19-17(22)20-14-6-5-7-14)13-10-18-21(11-13)15-8-3-4-9-16(15)23-2/h3-4,8-12,14H,5-7H2,1-2H3,(H2,19,20,22)/t12-/m0/s1.
What are the key properties of 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea?
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea is sourced from PubChem (CID 125443355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).