3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine

C10H7F2N5 — CID 154848892

IUPAC3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine
SMILESFC(F)n1cc(-c2cnc3ncccn23)cn1
InChIInChI=1S/C10H7F2N5/c11-9(12)17-6-7(4-15-17)8-5-14-10-13-2-1-3-16(8)10/h1-6,9H
InChIKeyCMRMFIXCBIIAEA-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.99
Rot. Bonds2

About 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine

3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine (PubChem CID 154848892) has the molecular formula C10H7F2N5 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine
PubChem CID154848892
Molecular FormulaC10H7F2N5
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine
SMILESFC(F)n1cc(-c2cnc3ncccn23)cn1
InChIInChI=1S/C10H7F2N5/c11-9(12)17-6-7(4-15-17)8-5-14-10-13-2-1-3-16(8)10/h1-6,9H
InChIKeyCMRMFIXCBIIAEA-UHFFFAOYSA-N
XLogP1.99
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine (CID 154848892) is 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine is FC(F)n1cc(-c2cnc3ncccn23)cn1.
What is the InChIKey of 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is CMRMFIXCBIIAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N5/c11-9(12)17-6-7(4-15-17)8-5-14-10-13-2-1-3-16(8)10/h1-6,9H.
What are the key properties of 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine?
3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 235.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 154848892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).