1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile

C10H11F3N4O — CID 3787592

IUPAC1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCn1nc(C(F)(F)F)c(C#N)c1N1CCOCC1
InChIInChI=1S/C10H11F3N4O/c1-16-9(17-2-4-18-5-3-17)7(6-14)8(15-16)10(11,12)13/h2-5H2,1H3
InChIKeyBNCUQRRLEMGBDK-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.15
Rot. Bonds1

About 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile

1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 3787592) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID3787592
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCn1nc(C(F)(F)F)c(C#N)c1N1CCOCC1
InChIInChI=1S/C10H11F3N4O/c1-16-9(17-2-4-18-5-3-17)7(6-14)8(15-16)10(11,12)13/h2-5H2,1H3
InChIKeyBNCUQRRLEMGBDK-UHFFFAOYSA-N
XLogP1.15
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 3787592) is 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile is Cn1nc(C(F)(F)F)c(C#N)c1N1CCOCC1.
What is the InChIKey of 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is BNCUQRRLEMGBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-16-9(17-2-4-18-5-3-17)7(6-14)8(15-16)10(11,12)13/h2-5H2,1H3.
What are the key properties of 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 260.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 3787592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).