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

C14H14F3N5O2 — CID 67674457

IUPACN-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(C(=O)NCC2CC2)n1
InChIInChI=1S/C14H14F3N5O2/c1-22-12(4-10(21-22)14(15,16)17)24-11-7-18-6-9(20-11)13(23)19-5-8-2-3-8/h4,6-8H,2-3,5H2,1H3,(H,19,23)
InChIKeyAJDPPJBIWQABLJ-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.16
Rot. Bonds5

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

N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide (PubChem CID 67674457) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
PubChem CID67674457
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC NameN-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(C(=O)NCC2CC2)n1
InChIInChI=1S/C14H14F3N5O2/c1-22-12(4-10(21-22)14(15,16)17)24-11-7-18-6-9(20-11)13(23)19-5-8-2-3-8/h4,6-8H,2-3,5H2,1H3,(H,19,23)
InChIKeyAJDPPJBIWQABLJ-UHFFFAOYSA-N
XLogP2.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide (CID 67674457) is N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide is Cn1nc(C(F)(F)F)cc1Oc1cncc(C(=O)NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
The InChIKey is AJDPPJBIWQABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-22-12(4-10(21-22)14(15,16)17)24-11-7-18-6-9(20-11)13(23)19-5-8-2-3-8/h4,6-8H,2-3,5H2,1H3,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide is sourced from PubChem (CID 67674457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).