1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole

C22H28N6 — CID 75590083

IUPAC1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2C(C)CC2CC(C)NN2)cn1
InChIInChI=1S/C22H28N6/c1-4-10-27-14-19(13-24-27)22-21(18-8-6-5-7-9-18)23-15-28(22)17(3)12-20-11-16(2)25-26-20/h4-9,13-17,20,25-26H,1,10-12H2,2-3H3
InChIKeyKNPGDDUTRURFPP-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.81
Rot. Bonds7

About 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole

1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole (PubChem CID 75590083) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole.

Molecular Properties

Compound Name1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole
PubChem CID75590083
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2C(C)CC2CC(C)NN2)cn1
InChIInChI=1S/C22H28N6/c1-4-10-27-14-19(13-24-27)22-21(18-8-6-5-7-9-18)23-15-28(22)17(3)12-20-11-16(2)25-26-20/h4-9,13-17,20,25-26H,1,10-12H2,2-3H3
InChIKeyKNPGDDUTRURFPP-UHFFFAOYSA-N
XLogP3.81
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
The IUPAC name of 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole (CID 75590083) is 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole.
What is the SMILES notation for 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
The canonical SMILES for 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole is C=CCn1cc(-c2c(-c3ccccc3)ncn2C(C)CC2CC(C)NN2)cn1.
What is the InChIKey of 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
The InChIKey is KNPGDDUTRURFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-4-10-27-14-19(13-24-27)22-21(18-8-6-5-7-9-18)23-15-28(22)17(3)12-20-11-16(2)25-26-20/h4-9,13-17,20,25-26H,1,10-12H2,2-3H3.
What are the key properties of 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole has a molecular weight of 376.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole is sourced from PubChem (CID 75590083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).