N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide

C14H14F3N5O — CID 67674909

IUPACN-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1cncc(C(=O)NC2CCC2)n1
InChIInChI=1S/C14H14F3N5O/c1-22-11(5-12(21-22)14(15,16)17)9-6-18-7-10(20-9)13(23)19-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,19,23)
InChIKeyFBIGCABUGNNDPC-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.18
Rot. Bonds3

About N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide

N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide (PubChem CID 67674909) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide
PubChem CID67674909
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC NameN-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1cncc(C(=O)NC2CCC2)n1
InChIInChI=1S/C14H14F3N5O/c1-22-11(5-12(21-22)14(15,16)17)9-6-18-7-10(20-9)13(23)19-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,19,23)
InChIKeyFBIGCABUGNNDPC-UHFFFAOYSA-N
XLogP2.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide (CID 67674909) is N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide is Cn1nc(C(F)(F)F)cc1-c1cncc(C(=O)NC2CCC2)n1.
What is the InChIKey of N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide?
The InChIKey is FBIGCABUGNNDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-22-11(5-12(21-22)14(15,16)17)9-6-18-7-10(20-9)13(23)19-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,19,23).
What are the key properties of N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide?
N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 67674909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).