[1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone

C15H25N5O — CID 106758637

IUPAC[1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(c1ccnn1C)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C15H25N5O/c1-12(13-5-6-17-18(13)2)20-9-3-4-14(20)15(21)19-10-7-16-8-11-19/h5-6,12,14,16H,3-4,7-11H2,1-2H3
InChIKeyUIWPGRCDVJELKY-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.38
Rot. Bonds3

About [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 106758637) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID106758637
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(c1ccnn1C)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C15H25N5O/c1-12(13-5-6-17-18(13)2)20-9-3-4-14(20)15(21)19-10-7-16-8-11-19/h5-6,12,14,16H,3-4,7-11H2,1-2H3
InChIKeyUIWPGRCDVJELKY-UHFFFAOYSA-N
XLogP0.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 106758637) is [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is CC(c1ccnn1C)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is UIWPGRCDVJELKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12(13-5-6-17-18(13)2)20-9-3-4-14(20)15(21)19-10-7-16-8-11-19/h5-6,12,14,16H,3-4,7-11H2,1-2H3.
What are the key properties of [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 291.40 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 106758637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).