1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one

C18H31N5O — CID 56802675

IUPAC1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCCC2Cn2cc(C)cn2)CC1
InChIInChI=1S/C18H31N5O/c1-4-20-8-10-21(11-9-20)18(24)16(3)23-7-5-6-17(23)14-22-13-15(2)12-19-22/h12-13,16-17H,4-11,14H2,1-3H3
InChIKeyGTMTVXYGZHPORV-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.21
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 56802675) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID56802675
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCCC2Cn2cc(C)cn2)CC1
InChIInChI=1S/C18H31N5O/c1-4-20-8-10-21(11-9-20)18(24)16(3)23-7-5-6-17(23)14-22-13-15(2)12-19-22/h12-13,16-17H,4-11,14H2,1-3H3
InChIKeyGTMTVXYGZHPORV-UHFFFAOYSA-N
XLogP1.21
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one (CID 56802675) is 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one is CCN1CCN(C(=O)C(C)N2CCCC2Cn2cc(C)cn2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is GTMTVXYGZHPORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-20-8-10-21(11-9-20)18(24)16(3)23-7-5-6-17(23)14-22-13-15(2)12-19-22/h12-13,16-17H,4-11,14H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 333.48 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 56802675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).