4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol

C13H22ClN3O — CID 114638690

IUPAC4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C13H22ClN3O/c1-4-10-7-15-6-5-13(10,18)12-11(14)8-16-17(12)9(2)3/h8-10,15,18H,4-7H2,1-3H3
InChIKeyJTUSZXPQJQFXDN-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.32
Rot. Bonds3

About 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol

4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol (PubChem CID 114638690) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol
PubChem CID114638690
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C13H22ClN3O/c1-4-10-7-15-6-5-13(10,18)12-11(14)8-16-17(12)9(2)3/h8-10,15,18H,4-7H2,1-3H3
InChIKeyJTUSZXPQJQFXDN-UHFFFAOYSA-N
XLogP2.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol?
The IUPAC name of 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol (CID 114638690) is 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol?
The canonical SMILES for 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol is CCC1CNCCC1(O)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol?
The InChIKey is JTUSZXPQJQFXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-10-7-15-6-5-13(10,18)12-11(14)8-16-17(12)9(2)3/h8-10,15,18H,4-7H2,1-3H3.
What are the key properties of 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol?
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol has a molecular weight of 271.79 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114638690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).