4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile

C13H18N4O2 — CID 154835937

IUPAC4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile
SMILESCc1c(C(=O)N2CCOC(C#N)C2)cnn1C(C)C
InChIInChI=1S/C13H18N4O2/c1-9(2)17-10(3)12(7-15-17)13(18)16-4-5-19-11(6-14)8-16/h7,9,11H,4-5,8H2,1-3H3
InChIKeyRYFCVIARKXYVJF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.14
Rot. Bonds2

About 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile

4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile (PubChem CID 154835937) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile
PubChem CID154835937
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile
SMILESCc1c(C(=O)N2CCOC(C#N)C2)cnn1C(C)C
InChIInChI=1S/C13H18N4O2/c1-9(2)17-10(3)12(7-15-17)13(18)16-4-5-19-11(6-14)8-16/h7,9,11H,4-5,8H2,1-3H3
InChIKeyRYFCVIARKXYVJF-UHFFFAOYSA-N
XLogP1.14
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile (CID 154835937) is 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile is Cc1c(C(=O)N2CCOC(C#N)C2)cnn1C(C)C.
What is the InChIKey of 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile?
The InChIKey is RYFCVIARKXYVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)17-10(3)12(7-15-17)13(18)16-4-5-19-11(6-14)8-16/h7,9,11H,4-5,8H2,1-3H3.
What are the key properties of 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile?
4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 154835937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).