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

C17H21FN4O — CID 97021234

IUPAC5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESC[C@@H](c1ccccc1F)N1CCC[C@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C17H21FN4O/c1-11(13-6-2-3-7-14(13)18)22-8-4-5-12(10-22)15-9-16(17(19)23)21-20-15/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H2,19,23)(H,20,21)/t11-,12-/m0/s1
InChIKeyXIIUMJVFILEFTG-RYUDHWBXSA-N
MW316.38 g/mol
LogP2.59
Rot. Bonds4

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

5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 97021234) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID97021234
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESC[C@@H](c1ccccc1F)N1CCC[C@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C17H21FN4O/c1-11(13-6-2-3-7-14(13)18)22-8-4-5-12(10-22)15-9-16(17(19)23)21-20-15/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H2,19,23)(H,20,21)/t11-,12-/m0/s1
InChIKeyXIIUMJVFILEFTG-RYUDHWBXSA-N
XLogP2.59
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373902
5-[(3S)-1-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97318255
5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513956
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508
5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514082
5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514013
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927105
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514087
5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217786

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 97021234) is 5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is C[C@@H](c1ccccc1F)N1CCC[C@H](c2cc(C(N)=O)n[nH]2)C1.
What is the InChIKey of 5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is XIIUMJVFILEFTG-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-11(13-6-2-3-7-14(13)18)22-8-4-5-12(10-22)15-9-16(17(19)23)21-20-15/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H2,19,23)(H,20,21)/t11-,12-/m0/s1.
What are the key properties of 5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97021234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).