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

C16H25N5O2 — CID 71830392

IUPAC4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)n1cc(N2CC(C(=O)N3CCN(C)CC3)CC2=O)cn1
InChIInChI=1S/C16H25N5O2/c1-12(2)21-11-14(9-17-21)20-10-13(8-15(20)22)16(23)19-6-4-18(3)5-7-19/h9,11-13H,4-8,10H2,1-3H3
InChIKeyATPHGRLMQZQRFE-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.59
Rot. Bonds3

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

4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 71830392) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID71830392
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)n1cc(N2CC(C(=O)N3CCN(C)CC3)CC2=O)cn1
InChIInChI=1S/C16H25N5O2/c1-12(2)21-11-14(9-17-21)20-10-13(8-15(20)22)16(23)19-6-4-18(3)5-7-19/h9,11-13H,4-8,10H2,1-3H3
InChIKeyATPHGRLMQZQRFE-UHFFFAOYSA-N
XLogP0.59
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (CID 71830392) is 4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is CC(C)n1cc(N2CC(C(=O)N3CCN(C)CC3)CC2=O)cn1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is ATPHGRLMQZQRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12(2)21-11-14(9-17-21)20-10-13(8-15(20)22)16(23)19-6-4-18(3)5-7-19/h9,11-13H,4-8,10H2,1-3H3.
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71830392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).