5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C17H21FN4O2 — CID 71871707

IUPAC5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(CC(O)c3ccccc3F)C2)[nH]n1
InChIInChI=1S/C17H21FN4O2/c18-13-6-2-1-5-12(13)16(23)10-22-7-3-4-11(9-22)14-8-15(17(19)24)21-20-14/h1-2,5-6,8,11,16,23H,3-4,7,9-10H2,(H2,19,24)(H,20,21)
InChIKeyUBBBOPJKRFPQOV-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.56
Rot. Bonds5

About 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71871707) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71871707
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(CC(O)c3ccccc3F)C2)[nH]n1
InChIInChI=1S/C17H21FN4O2/c18-13-6-2-1-5-12(13)16(23)10-22-7-3-4-11(9-22)14-8-15(17(19)24)21-20-14/h1-2,5-6,8,11,16,23H,3-4,7,9-10H2,(H2,19,24)(H,20,21)
InChIKeyUBBBOPJKRFPQOV-UHFFFAOYSA-N
XLogP1.56
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71871707) is 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc(C2CCCN(CC(O)c3ccccc3F)C2)[nH]n1.
What is the InChIKey of 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is UBBBOPJKRFPQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-13-6-2-1-5-12(13)16(23)10-22-7-3-4-11(9-22)14-8-15(17(19)24)21-20-14/h1-2,5-6,8,11,16,23H,3-4,7,9-10H2,(H2,19,24)(H,20,21).
What are the key properties of 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71871707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).