1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea

C20H26FN5O2 — CID 95215865

IUPAC1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C20H26FN5O2/c21-15-3-1-4-16(13-15)23-20(27)24-19-6-9-22-26(19)17-7-10-25(11-8-17)14-18-5-2-12-28-18/h1,3-4,6,9,13,17-18H,2,5,7-8,10-12,14H2,(H2,23,24,27)/t18-/m1/s1
InChIKeyDBKJDVFWCRQUNZ-GOSISDBHSA-N
MW387.46 g/mol
LogP3.48
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea

1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 95215865) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID95215865
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C20H26FN5O2/c21-15-3-1-4-16(13-15)23-20(27)24-19-6-9-22-26(19)17-7-10-25(11-8-17)14-18-5-2-12-28-18/h1,3-4,6,9,13,17-18H,2,5,7-8,10-12,14H2,(H2,23,24,27)/t18-/m1/s1
InChIKeyDBKJDVFWCRQUNZ-GOSISDBHSA-N
XLogP3.48
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea (CID 95215865) is 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea is O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C[C@H]2CCCO2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is DBKJDVFWCRQUNZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26FN5O2/c21-15-3-1-4-16(13-15)23-20(27)24-19-6-9-22-26(19)17-7-10-25(11-8-17)14-18-5-2-12-28-18/h1,3-4,6,9,13,17-18H,2,5,7-8,10-12,14H2,(H2,23,24,27)/t18-/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea?
1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 387.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 95215865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).