2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide

C21H20F2N4O — CID 99741612

IUPAC2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C21H20F2N4O/c22-16-6-4-15(5-7-16)19-12-20(26-25-19)27-9-8-18(13-27)24-21(28)11-14-2-1-3-17(23)10-14/h1-7,10,12,18H,8-9,11,13H2,(H,24,28)(H,25,26)/t18-/m0/s1
InChIKeyNKISUALSQGIPAA-SFHVURJKSA-N
MW382.41 g/mol
LogP3.29
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide

2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide (PubChem CID 99741612) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
PubChem CID99741612
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C21H20F2N4O/c22-16-6-4-15(5-7-16)19-12-20(26-25-19)27-9-8-18(13-27)24-21(28)11-14-2-1-3-17(23)10-14/h1-7,10,12,18H,8-9,11,13H2,(H,24,28)(H,25,26)/t18-/m0/s1
InChIKeyNKISUALSQGIPAA-SFHVURJKSA-N
XLogP3.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide (CID 99741612) is 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide is O=C(Cc1cccc(F)c1)N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is NKISUALSQGIPAA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-16-6-4-15(5-7-16)19-12-20(26-25-19)27-9-8-18(13-27)24-21(28)11-14-2-1-3-17(23)10-14/h1-7,10,12,18H,8-9,11,13H2,(H,24,28)(H,25,26)/t18-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide?
2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 382.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99741612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).