N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide

C18H23FN4O2 — CID 71921965

IUPACN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C18H23FN4O2/c1-12(21-18(25)17-5-8-20-22(17)2)15-11-13(19)3-4-16(15)23-9-6-14(24)7-10-23/h3-5,8,11-12,14,24H,6-7,9-10H2,1-2H3,(H,21,25)
InChIKeyXDKKYGCNHWTAEL-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.01
Rot. Bonds4

About N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide

N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 71921965) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID71921965
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C18H23FN4O2/c1-12(21-18(25)17-5-8-20-22(17)2)15-11-13(19)3-4-16(15)23-9-6-14(24)7-10-23/h3-5,8,11-12,14,24H,6-7,9-10H2,1-2H3,(H,21,25)
InChIKeyXDKKYGCNHWTAEL-UHFFFAOYSA-N
XLogP2.01
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide (CID 71921965) is N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide is CC(NC(=O)c1ccnn1C)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is XDKKYGCNHWTAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12(21-18(25)17-5-8-20-22(17)2)15-11-13(19)3-4-16(15)23-9-6-14(24)7-10-23/h3-5,8,11-12,14,24H,6-7,9-10H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide?
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71921965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).