4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile

C14H15N5O — CID 139208416

IUPAC4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile
SMILESCn1cc(C2NNCC2Oc2ccc(C#N)cc2)cn1
InChIInChI=1S/C14H15N5O/c1-19-9-11(7-17-19)14-13(8-16-18-14)20-12-4-2-10(6-15)3-5-12/h2-5,7,9,13-14,16,18H,8H2,1H3
InChIKeyBYAXGPAQYRHDED-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.89
Rot. Bonds3

About 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile

4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile (PubChem CID 139208416) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile
PubChem CID139208416
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile
SMILESCn1cc(C2NNCC2Oc2ccc(C#N)cc2)cn1
InChIInChI=1S/C14H15N5O/c1-19-9-11(7-17-19)14-13(8-16-18-14)20-12-4-2-10(6-15)3-5-12/h2-5,7,9,13-14,16,18H,8H2,1H3
InChIKeyBYAXGPAQYRHDED-UHFFFAOYSA-N
XLogP0.89
TPSA74.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile (CID 139208416) is 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile is Cn1cc(C2NNCC2Oc2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile?
The InChIKey is BYAXGPAQYRHDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19-9-11(7-17-19)14-13(8-16-18-14)20-12-4-2-10(6-15)3-5-12/h2-5,7,9,13-14,16,18H,8H2,1H3.
What are the key properties of 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile?
4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile has a molecular weight of 269.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpyrazol-4-yl)pyrazolidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 139208416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).