3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one

C20H23N5O — CID 50973893

IUPAC3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCN1CC=C(c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H23N5O/c26-20-21-9-14-24(20)11-4-10-23-12-7-17(8-13-23)18-15-22-25(16-18)19-5-2-1-3-6-19/h1-3,5-7,9,14-16H,4,8,10-13H2,(H,21,26)
InChIKeyZIJYIQZMFVFKHE-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.54
Rot. Bonds6

About 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one

3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one (PubChem CID 50973893) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one
PubChem CID50973893
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCN1CC=C(c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H23N5O/c26-20-21-9-14-24(20)11-4-10-23-12-7-17(8-13-23)18-15-22-25(16-18)19-5-2-1-3-6-19/h1-3,5-7,9,14-16H,4,8,10-13H2,(H,21,26)
InChIKeyZIJYIQZMFVFKHE-UHFFFAOYSA-N
XLogP2.54
TPSA58.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one (CID 50973893) is 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCCN1CC=C(c2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one?
The InChIKey is ZIJYIQZMFVFKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20-21-9-14-24(20)11-4-10-23-12-7-17(8-13-23)18-15-22-25(16-18)19-5-2-1-3-6-19/h1-3,5-7,9,14-16H,4,8,10-13H2,(H,21,26).
What are the key properties of 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one?
3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-imidazol-2-one is sourced from PubChem (CID 50973893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).