(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide

C8H11FN4O — CID 130774691

IUPAC(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C8H11FN4O/c9-5-3-6(10-4-5)8(14)12-7-1-2-11-13-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13,14)/t5-,6+/m0/s1
InChIKeyXQBYJSIZAPRAOA-NTSWFWBYSA-N
MW198.20 g/mol
LogP0.05
Rot. Bonds2

About (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide

(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 130774691) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID130774691
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C8H11FN4O/c9-5-3-6(10-4-5)8(14)12-7-1-2-11-13-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13,14)/t5-,6+/m0/s1
InChIKeyXQBYJSIZAPRAOA-NTSWFWBYSA-N
XLogP0.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide (CID 130774691) is (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccn[nH]1)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is XQBYJSIZAPRAOA-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H11FN4O/c9-5-3-6(10-4-5)8(14)12-7-1-2-11-13-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13,14)/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide?
(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 198.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 130774691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).