4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine

C10H5BrF3N5 — CID 104732969

IUPAC4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cc2c(-n3cc(Br)cn3)nccn2n1
InChIInChI=1S/C10H5BrF3N5/c11-6-4-16-19(5-6)9-7-3-8(10(12,13)14)17-18(7)2-1-15-9/h1-5H
InChIKeyCMMRACXLPABUSJ-UHFFFAOYSA-N
MW332.08 g/mol
LogP2.70
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine

4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (PubChem CID 104732969) has the molecular formula C10H5BrF3N5 and a molecular weight of 332.08 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
PubChem CID104732969
Molecular FormulaC10H5BrF3N5
Molecular Weight332.08 g/mol
Exact Mass330.97
IUPAC Name4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cc2c(-n3cc(Br)cn3)nccn2n1
InChIInChI=1S/C10H5BrF3N5/c11-6-4-16-19(5-6)9-7-3-8(10(12,13)14)17-18(7)2-1-15-9/h1-5H
InChIKeyCMMRACXLPABUSJ-UHFFFAOYSA-N
XLogP2.70
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (CID 104732969) is 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is FC(F)(F)c1cc2c(-n3cc(Br)cn3)nccn2n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is CMMRACXLPABUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N5/c11-6-4-16-19(5-6)9-7-3-8(10(12,13)14)17-18(7)2-1-15-9/h1-5H.
What are the key properties of 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 332.08 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104732969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).