(2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

C14H24N4O2 — CID 97340363

IUPAC(2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCCc1nn(C)cc1NC(=O)N1CCC[C@@H]1C(C)(C)O
InChIInChI=1S/C14H24N4O2/c1-5-10-11(9-17(4)16-10)15-13(19)18-8-6-7-12(18)14(2,3)20/h9,12,20H,5-8H2,1-4H3,(H,15,19)/t12-/m1/s1
InChIKeyVGJXVKPBESBFBF-GFCCVEGCSA-N
MW280.37 g/mol
LogP1.75
Rot. Bonds3

About (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

(2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 97340363) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID97340363
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCCc1nn(C)cc1NC(=O)N1CCC[C@@H]1C(C)(C)O
InChIInChI=1S/C14H24N4O2/c1-5-10-11(9-17(4)16-10)15-13(19)18-8-6-7-12(18)14(2,3)20/h9,12,20H,5-8H2,1-4H3,(H,15,19)/t12-/m1/s1
InChIKeyVGJXVKPBESBFBF-GFCCVEGCSA-N
XLogP1.75
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (CID 97340363) is (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is CCc1nn(C)cc1NC(=O)N1CCC[C@@H]1C(C)(C)O.
What is the InChIKey of (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VGJXVKPBESBFBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-10-11(9-17(4)16-10)15-13(19)18-8-6-7-12(18)14(2,3)20/h9,12,20H,5-8H2,1-4H3,(H,15,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97340363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).