N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide

C18H23FN4O2 — CID 46965072

IUPACN-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O2/c1-22-16(6-9-21-22)17(24)20-10-13-23-11-7-18(25,8-12-23)14-2-4-15(19)5-3-14/h2-6,9,25H,7-8,10-13H2,1H3,(H,20,24)
InChIKeyAXHQEIVSMAEQPA-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.27
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide

N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 46965072) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID46965072
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O2/c1-22-16(6-9-21-22)17(24)20-10-13-23-11-7-18(25,8-12-23)14-2-4-15(19)5-3-14/h2-6,9,25H,7-8,10-13H2,1H3,(H,20,24)
InChIKeyAXHQEIVSMAEQPA-UHFFFAOYSA-N
XLogP1.27
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide (CID 46965072) is N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is AXHQEIVSMAEQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-22-16(6-9-21-22)17(24)20-10-13-23-11-7-18(25,8-12-23)14-2-4-15(19)5-3-14/h2-6,9,25H,7-8,10-13H2,1H3,(H,20,24).
What are the key properties of N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46965072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).