4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile

C10H8N4O — CID 81341566

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile
SMILESCc1cc(Oc2ccnc(C#N)c2)n[nH]1
InChIInChI=1S/C10H8N4O/c1-7-4-10(14-13-7)15-9-2-3-12-8(5-9)6-11/h2-5H,1H3,(H,13,14)
InChIKeyPUIUIEAGPPRFIB-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.78
Rot. Bonds2

About 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile

4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile (PubChem CID 81341566) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile
PubChem CID81341566
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile
SMILESCc1cc(Oc2ccnc(C#N)c2)n[nH]1
InChIInChI=1S/C10H8N4O/c1-7-4-10(14-13-7)15-9-2-3-12-8(5-9)6-11/h2-5H,1H3,(H,13,14)
InChIKeyPUIUIEAGPPRFIB-UHFFFAOYSA-N
XLogP1.78
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile (CID 81341566) is 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile is Cc1cc(Oc2ccnc(C#N)c2)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile?
The InChIKey is PUIUIEAGPPRFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-7-4-10(14-13-7)15-9-2-3-12-8(5-9)6-11/h2-5H,1H3,(H,13,14).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile?
4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile is sourced from PubChem (CID 81341566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).