1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one

C15H19N5O — CID 167879469

IUPAC1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one
SMILESCNCCn1cc(-c2cccc(N3CCNC3=O)c2)cn1
InChIInChI=1S/C15H19N5O/c1-16-5-7-19-11-13(10-18-19)12-3-2-4-14(9-12)20-8-6-17-15(20)21/h2-4,9-11,16H,5-8H2,1H3,(H,17,21)
InChIKeyBUSZSZZGNGWVPV-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.30
Rot. Bonds5

About 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one

1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one (PubChem CID 167879469) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one
PubChem CID167879469
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one
SMILESCNCCn1cc(-c2cccc(N3CCNC3=O)c2)cn1
InChIInChI=1S/C15H19N5O/c1-16-5-7-19-11-13(10-18-19)12-3-2-4-14(9-12)20-8-6-17-15(20)21/h2-4,9-11,16H,5-8H2,1H3,(H,17,21)
InChIKeyBUSZSZZGNGWVPV-UHFFFAOYSA-N
XLogP1.30
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one (CID 167879469) is 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one is CNCCn1cc(-c2cccc(N3CCNC3=O)c2)cn1.
What is the InChIKey of 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one?
The InChIKey is BUSZSZZGNGWVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-16-5-7-19-11-13(10-18-19)12-3-2-4-14(9-12)20-8-6-17-15(20)21/h2-4,9-11,16H,5-8H2,1H3,(H,17,21).
What are the key properties of 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one?
1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 167879469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).