3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol

C19H27N3O — CID 95435794

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
SMILESCCn1cc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)c(C)n1
InChIInChI=1S/C19H27N3O/c1-3-22-13-19(14(2)21-22)16-10-15(11-18(23)12-16)7-8-17-6-4-5-9-20-17/h10-13,17,20,23H,3-9H2,1-2H3/t17-/m1/s1
InChIKeyYGVGNRUUISRXPO-QGZVFWFLSA-N
MW313.45 g/mol
LogP3.66
Rot. Bonds5

About 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol

3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol (PubChem CID 95435794) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
PubChem CID95435794
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
SMILESCCn1cc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)c(C)n1
InChIInChI=1S/C19H27N3O/c1-3-22-13-19(14(2)21-22)16-10-15(11-18(23)12-16)7-8-17-6-4-5-9-20-17/h10-13,17,20,23H,3-9H2,1-2H3/t17-/m1/s1
InChIKeyYGVGNRUUISRXPO-QGZVFWFLSA-N
XLogP3.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol (CID 95435794) is 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol is CCn1cc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
The InChIKey is YGVGNRUUISRXPO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O/c1-3-22-13-19(14(2)21-22)16-10-15(11-18(23)12-16)7-8-17-6-4-5-9-20-17/h10-13,17,20,23H,3-9H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol has a molecular weight of 313.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 95435794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).