1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea

C17H21ClN4O2 — CID 97122784

IUPAC1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O2/c1-11(2)22-15(7-9-19-22)21-17(23)20-14-8-10-24-16(14)12-3-5-13(18)6-4-12/h3-7,9,11,14,16H,8,10H2,1-2H3,(H2,20,21,23)/t14-,16+/m1/s1
InChIKeyORKOWULBKGOCJZ-ZBFHGGJFSA-N
MW348.83 g/mol
LogP3.77
Rot. Bonds4

About 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea

1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea (PubChem CID 97122784) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
PubChem CID97122784
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O2/c1-11(2)22-15(7-9-19-22)21-17(23)20-14-8-10-24-16(14)12-3-5-13(18)6-4-12/h3-7,9,11,14,16H,8,10H2,1-2H3,(H2,20,21,23)/t14-,16+/m1/s1
InChIKeyORKOWULBKGOCJZ-ZBFHGGJFSA-N
XLogP3.77
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
CID 98875908
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97128270
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697
3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
CID 97256978
N-[2-(4-chlorophenyl)oxolan-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016794

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea (CID 97122784) is 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea is CC(C)n1nccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is ORKOWULBKGOCJZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11(2)22-15(7-9-19-22)21-17(23)20-14-8-10-24-16(14)12-3-5-13(18)6-4-12/h3-7,9,11,14,16H,8,10H2,1-2H3,(H2,20,21,23)/t14-,16+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 348.83 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 97122784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).