4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

C17H27N5O2 — CID 71830391

IUPAC4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3cnn(C(C)C)c3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-4-19-5-7-20(8-6-19)17(24)14-9-16(23)21(11-14)15-10-18-22(12-15)13(2)3/h10,12-14H,4-9,11H2,1-3H3
InChIKeyGBOPRJSTVOPNEJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.98
Rot. Bonds4

About 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 71830391) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID71830391
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3cnn(C(C)C)c3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-4-19-5-7-20(8-6-19)17(24)14-9-16(23)21(11-14)15-10-18-22(12-15)13(2)3/h10,12-14H,4-9,11H2,1-3H3
InChIKeyGBOPRJSTVOPNEJ-UHFFFAOYSA-N
XLogP0.98
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (CID 71830391) is 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is CCN1CCN(C(=O)C2CC(=O)N(c3cnn(C(C)C)c3)C2)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is GBOPRJSTVOPNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-4-19-5-7-20(8-6-19)17(24)14-9-16(23)21(11-14)15-10-18-22(12-15)13(2)3/h10,12-14H,4-9,11H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71830391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).