5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C17H21FN4O2 — CID 71927105

IUPAC5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(CCOc3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C17H21FN4O2/c18-13-3-5-14(6-4-13)24-9-8-22-7-1-2-12(11-22)15-10-16(17(19)23)21-20-15/h3-6,10,12H,1-2,7-9,11H2,(H2,19,23)(H,20,21)
InChIKeyMDDYJJZNEFRFDK-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.91
Rot. Bonds6

About 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71927105) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71927105
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(CCOc3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C17H21FN4O2/c18-13-3-5-14(6-4-13)24-9-8-22-7-1-2-12(11-22)15-10-16(17(19)23)21-20-15/h3-6,10,12H,1-2,7-9,11H2,(H2,19,23)(H,20,21)
InChIKeyMDDYJJZNEFRFDK-UHFFFAOYSA-N
XLogP1.91
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514013
5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514087
5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927132
5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217786
2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283919
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217770
5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927112
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513943
5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole
CID 124948771
5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373887
5-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373902

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71927105) is 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc(C2CCCN(CCOc3ccc(F)cc3)C2)[nH]n1.
What is the InChIKey of 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is MDDYJJZNEFRFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-13-3-5-14(6-4-13)24-9-8-22-7-1-2-12(11-22)15-10-16(17(19)23)21-20-15/h3-6,10,12H,1-2,7-9,11H2,(H2,19,23)(H,20,21).
What are the key properties of 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71927105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).