(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C17H22N4O2 — CID 56792535

IUPAC(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)N3CCC[C@@H]3CO)c2)n1
InChIInChI=1S/C17H22N4O2/c1-12-9-13(2)21(19-12)15-6-3-5-14(10-15)18-17(23)20-8-4-7-16(20)11-22/h3,5-6,9-10,16,22H,4,7-8,11H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyLIQDGRLAJVYRGJ-MRXNPFEDSA-N
MW314.39 g/mol
LogP2.48
Rot. Bonds3

About (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 56792535) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID56792535
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)N3CCC[C@@H]3CO)c2)n1
InChIInChI=1S/C17H22N4O2/c1-12-9-13(2)21(19-12)15-6-3-5-14(10-15)18-17(23)20-8-4-7-16(20)11-22/h3,5-6,9-10,16,22H,4,7-8,11H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyLIQDGRLAJVYRGJ-MRXNPFEDSA-N
XLogP2.48
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 56792535) is (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is Cc1cc(C)n(-c2cccc(NC(=O)N3CCC[C@@H]3CO)c2)n1.
What is the InChIKey of (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is LIQDGRLAJVYRGJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-9-13(2)21(19-12)15-6-3-5-14(10-15)18-17(23)20-8-4-7-16(20)11-22/h3,5-6,9-10,16,22H,4,7-8,11H2,1-2H3,(H,18,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 56792535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).