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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Related Compounds

2-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-2-oxoacetic acid
CID 119034038
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 111696050
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 97020577
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97052098
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71921969
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
CID 95760153
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide
CID 126797853
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1H-indazole-3-carboxamide
CID 139012691
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 126801869
1-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95760155
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 51105766
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 138996162

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).