1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one

C17H19N3O2 — CID 168663980

IUPAC1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H19N3O2/c21-11-12-8-17(22)19(10-12)16-9-15(13-6-7-13)18-20(16)14-4-2-1-3-5-14/h1-5,9,12-13,21H,6-8,10-11H2
InChIKeyZEXKYTXARRCHPE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.09
Rot. Bonds4

About 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663980) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663980
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H19N3O2/c21-11-12-8-17(22)19(10-12)16-9-15(13-6-7-13)18-20(16)14-4-2-1-3-5-14/h1-5,9,12-13,21H,6-8,10-11H2
InChIKeyZEXKYTXARRCHPE-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663980) is 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is ZEXKYTXARRCHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-11-12-8-17(22)19(10-12)16-9-15(13-6-7-13)18-20(16)14-4-2-1-3-5-14/h1-5,9,12-13,21H,6-8,10-11H2.
What are the key properties of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).