1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea

C16H19ClN4O2 — CID 97128571

IUPAC1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H19ClN4O2/c1-21-10-11(9-19-21)8-18-16(22)20-14-6-7-23-15(14)12-2-4-13(17)5-3-12/h2-5,9-10,14-15H,6-8H2,1H3,(H2,18,20,22)/t14-,15-/m0/s1
InChIKeyAHXGWWRNNSIMPB-GJZGRUSLSA-N
MW334.81 g/mol
LogP2.40
Rot. Bonds4

About 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea

1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 97128571) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID97128571
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H19ClN4O2/c1-21-10-11(9-19-21)8-18-16(22)20-14-6-7-23-15(14)12-2-4-13(17)5-3-12/h2-5,9-10,14-15H,6-8H2,1H3,(H2,18,20,22)/t14-,15-/m0/s1
InChIKeyAHXGWWRNNSIMPB-GJZGRUSLSA-N
XLogP2.40
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 86793272
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
CID 98875908
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97122784
N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 95964717
2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide
CID 124615405
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 97128571) is 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea is Cn1cc(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is AHXGWWRNNSIMPB-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-21-10-11(9-19-21)8-18-16(22)20-14-6-7-23-15(14)12-2-4-13(17)5-3-12/h2-5,9-10,14-15H,6-8H2,1H3,(H2,18,20,22)/t14-,15-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 334.81 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 97128571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).