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

C18H23FN4O2 — CID 111696050

IUPACN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cc(F)ccc2N2CCC(O)CC2)n[nH]1
InChIInChI=1S/C18H23FN4O2/c1-11-9-16(22-21-11)18(25)20-12(2)15-10-13(19)3-4-17(15)23-7-5-14(24)6-8-23/h3-4,9-10,12,14,24H,5-8H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyFRRHYNBQSWZTBB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.31
Rot. Bonds4

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

N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 111696050) 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]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID111696050
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cc(F)ccc2N2CCC(O)CC2)n[nH]1
InChIInChI=1S/C18H23FN4O2/c1-11-9-16(22-21-11)18(25)20-12(2)15-10-13(19)3-4-17(15)23-7-5-14(24)6-8-23/h3-4,9-10,12,14,24H,5-8H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyFRRHYNBQSWZTBB-UHFFFAOYSA-N
XLogP2.31
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97052098
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 97020577
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1H-indazole-3-carboxamide
CID 139012691
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]-2-methylpyrazole-3-carboxamide
CID 71921965
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]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71921969
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 126801869
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
1-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95760155
1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol
CID 133454278

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 111696050) is N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)c2cc(F)ccc2N2CCC(O)CC2)n[nH]1.
What is the InChIKey of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is FRRHYNBQSWZTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-11-9-16(22-21-11)18(25)20-12(2)15-10-13(19)3-4-17(15)23-7-5-14(24)6-8-23/h3-4,9-10,12,14,24H,5-8H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111696050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).