(2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C16H19FN4O2 — CID 50973076

IUPAC(2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C16H19FN4O2/c1-21(16(23)14-6-13(22)8-18-14)9-11-7-19-20-15(11)10-2-4-12(17)5-3-10/h2-5,7,13-14,18,22H,6,8-9H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyHILNZLSJTRHTIV-KGLIPLIRSA-N
MW318.35 g/mol
LogP0.90
Rot. Bonds4

About (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

(2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 50973076) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID50973076
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C16H19FN4O2/c1-21(16(23)14-6-13(22)8-18-14)9-11-7-19-20-15(11)10-2-4-12(17)5-3-10/h2-5,7,13-14,18,22H,6,8-9H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyHILNZLSJTRHTIV-KGLIPLIRSA-N
XLogP0.90
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 50973076) is (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HILNZLSJTRHTIV-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-21(16(23)14-6-13(22)8-18-14)9-11-7-19-20-15(11)10-2-4-12(17)5-3-10/h2-5,7,13-14,18,22H,6,8-9H2,1H3,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 50973076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).