(3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide

C16H19FN4O — CID 155529170

IUPAC(3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CC[C@H](F)C1
InChIInChI=1S/C16H19FN4O/c17-14-6-9-20(12-14)16(22)18-8-11-21-10-7-15(19-21)13-4-2-1-3-5-13/h1-5,7,10,14H,6,8-9,11-12H2,(H,18,22)/t14-/m0/s1
InChIKeyPCRVRINEUAYOAU-AWEZNQCLSA-N
MW302.35 g/mol
LogP2.30
Rot. Bonds4

About (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide

(3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 155529170) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID155529170
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name(3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CC[C@H](F)C1
InChIInChI=1S/C16H19FN4O/c17-14-6-9-20(12-14)16(22)18-8-11-21-10-7-15(19-21)13-4-2-1-3-5-13/h1-5,7,10,14H,6,8-9,11-12H2,(H,18,22)/t14-/m0/s1
InChIKeyPCRVRINEUAYOAU-AWEZNQCLSA-N
XLogP2.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3,5-di(pyrazol-1-yl)phenyl]-3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
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N-{4-[1-(3-methylbutyl)-1H-pyrazol-4-yl]phenyl}-1,3-dihydro-2H-isoindole-2-carboxamide
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N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
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N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
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CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
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6-cyclopropyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
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N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309752
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide (CID 155529170) is (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide is O=C(NCCn1ccc(-c2ccccc2)n1)N1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is PCRVRINEUAYOAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-6-9-20(12-14)16(22)18-8-11-21-10-7-15(19-21)13-4-2-1-3-5-13/h1-5,7,10,14H,6,8-9,11-12H2,(H,18,22)/t14-/m0/s1.
What are the key properties of (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
(3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155529170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).