(2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide

C17H22N4O2 — CID 71867507

IUPAC(2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@@H]1CO)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H22N4O2/c1-13(19-17(23)20-9-3-7-16(20)12-22)14-5-2-6-15(11-14)21-10-4-8-18-21/h2,4-6,8,10-11,13,16,22H,3,7,9,12H2,1H3,(H,19,23)/t13?,16-/m1/s1
InChIKeyITYZHXXNLBHEEU-FQNRMIAFSA-N
MW314.39 g/mol
LogP2.10
Rot. Bonds4

About (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 71867507) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID71867507
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@@H]1CO)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H22N4O2/c1-13(19-17(23)20-9-3-7-16(20)12-22)14-5-2-6-15(11-14)21-10-4-8-18-21/h2,4-6,8,10-11,13,16,22H,3,7,9,12H2,1H3,(H,19,23)/t13?,16-/m1/s1
InChIKeyITYZHXXNLBHEEU-FQNRMIAFSA-N
XLogP2.10
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide (CID 71867507) is (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCC[C@@H]1CO)c1cccc(-n2cccn2)c1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is ITYZHXXNLBHEEU-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(19-17(23)20-9-3-7-16(20)12-22)14-5-2-6-15(11-14)21-10-4-8-18-21/h2,4-6,8,10-11,13,16,22H,3,7,9,12H2,1H3,(H,19,23)/t13?,16-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71867507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).