[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone

C14H14F3N5O — CID 110096151

IUPAC[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone
SMILESCn1nc(C(=O)N2CCCC2c2cnccn2)cc1C(F)(F)F
InChIInChI=1S/C14H14F3N5O/c1-21-12(14(15,16)17)7-9(20-21)13(23)22-6-2-3-11(22)10-8-18-4-5-19-10/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyGFUVKZIQFVNOKK-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.21
Rot. Bonds2

About [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone

[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 110096151) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone
PubChem CID110096151
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone
SMILESCn1nc(C(=O)N2CCCC2c2cnccn2)cc1C(F)(F)F
InChIInChI=1S/C14H14F3N5O/c1-21-12(14(15,16)17)7-9(20-21)13(23)22-6-2-3-11(22)10-8-18-4-5-19-10/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyGFUVKZIQFVNOKK-UHFFFAOYSA-N
XLogP2.21
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone (CID 110096151) is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone is Cn1nc(C(=O)N2CCCC2c2cnccn2)cc1C(F)(F)F.
What is the InChIKey of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is GFUVKZIQFVNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-21-12(14(15,16)17)7-9(20-21)13(23)22-6-2-3-11(22)10-8-18-4-5-19-10/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone?
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 325.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-pyrazin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110096151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).