1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione

C15H17N5O3 — CID 146658375

IUPAC1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCCOc2ccc(-c3ccn[nH]3)nc2)C(=O)N1
InChIInChI=1S/C15H17N5O3/c21-14-10-20(15(22)18-14)7-1-2-8-23-11-3-4-12(16-9-11)13-5-6-17-19-13/h3-6,9H,1-2,7-8,10H2,(H,17,19)(H,18,21,22)
InChIKeyPJECQYXZOKGSSX-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.18
Rot. Bonds7

About 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione

1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione (PubChem CID 146658375) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione
PubChem CID146658375
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCCOc2ccc(-c3ccn[nH]3)nc2)C(=O)N1
InChIInChI=1S/C15H17N5O3/c21-14-10-20(15(22)18-14)7-1-2-8-23-11-3-4-12(16-9-11)13-5-6-17-19-13/h3-6,9H,1-2,7-8,10H2,(H,17,19)(H,18,21,22)
InChIKeyPJECQYXZOKGSSX-UHFFFAOYSA-N
XLogP1.18
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione (CID 146658375) is 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione is O=C1CN(CCCCOc2ccc(-c3ccn[nH]3)nc2)C(=O)N1.
What is the InChIKey of 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione?
The InChIKey is PJECQYXZOKGSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-14-10-20(15(22)18-14)7-1-2-8-23-11-3-4-12(16-9-11)13-5-6-17-19-13/h3-6,9H,1-2,7-8,10H2,(H,17,19)(H,18,21,22).
What are the key properties of 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione?
1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione has a molecular weight of 315.33 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146658375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).