[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C19H22ClN3O2 — CID 56721809

IUPAC[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-15-5-2-1-4-14(15)17-12-16(21-22-17)13-7-9-23(10-8-13)19(24)18-6-3-11-25-18/h1-2,4-5,12-13,18H,3,6-11H2,(H,21,22)/t18-/m1/s1
InChIKeyILQTYNLYMPZMHD-GOSISDBHSA-N
MW359.86 g/mol
LogP3.62
Rot. Bonds3

About [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 56721809) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID56721809
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-15-5-2-1-4-14(15)17-12-16(21-22-17)13-7-9-23(10-8-13)19(24)18-6-3-11-25-18/h1-2,4-5,12-13,18H,3,6-11H2,(H,21,22)/t18-/m1/s1
InChIKeyILQTYNLYMPZMHD-GOSISDBHSA-N
XLogP3.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 56721809) is [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1.
What is the InChIKey of [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is ILQTYNLYMPZMHD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-15-5-2-1-4-14(15)17-12-16(21-22-17)13-7-9-23(10-8-13)19(24)18-6-3-11-25-18/h1-2,4-5,12-13,18H,3,6-11H2,(H,21,22)/t18-/m1/s1.
What are the key properties of [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 359.86 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 56721809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).