1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile

C15H22N4O2 — CID 122360032

IUPAC1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile
SMILESCOCCn1cc(C2C(C#N)CC(=O)N2C(C)(C)C)cn1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)19-13(20)7-11(8-16)14(19)12-9-17-18(10-12)5-6-21-4/h9-11,14H,5-7H2,1-4H3
InChIKeyYCTOUYHLELRDAP-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.74
Rot. Bonds4

About 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile

1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile (PubChem CID 122360032) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile
PubChem CID122360032
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile
SMILESCOCCn1cc(C2C(C#N)CC(=O)N2C(C)(C)C)cn1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)19-13(20)7-11(8-16)14(19)12-9-17-18(10-12)5-6-21-4/h9-11,14H,5-7H2,1-4H3
InChIKeyYCTOUYHLELRDAP-UHFFFAOYSA-N
XLogP1.74
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile (CID 122360032) is 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile is COCCn1cc(C2C(C#N)CC(=O)N2C(C)(C)C)cn1.
What is the InChIKey of 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is YCTOUYHLELRDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)19-13(20)7-11(8-16)14(19)12-9-17-18(10-12)5-6-21-4/h9-11,14H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile?
1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 122360032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).