3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H8ClF3N4O — CID 5241863

IUPAC3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1nn2cccnc2c1Cl
InChIInChI=1S/C14H8ClF3N4O/c15-10-11(21-22-7-3-6-19-12(10)22)13(23)20-9-5-2-1-4-8(9)14(16,17)18/h1-7H,(H,20,23)
InChIKeyPGPVWZSARJBXPN-UHFFFAOYSA-N
MW340.69 g/mol
LogP3.65
Rot. Bonds2

About 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 5241863) has the molecular formula C14H8ClF3N4O and a molecular weight of 340.69 g/mol. Its IUPAC name is 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID5241863
Molecular FormulaC14H8ClF3N4O
Molecular Weight340.69 g/mol
Exact Mass340.03
IUPAC Name3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1nn2cccnc2c1Cl
InChIInChI=1S/C14H8ClF3N4O/c15-10-11(21-22-7-3-6-19-12(10)22)13(23)20-9-5-2-1-4-8(9)14(16,17)18/h1-7H,(H,20,23)
InChIKeyPGPVWZSARJBXPN-UHFFFAOYSA-N
XLogP3.65
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 5241863) is 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1nn2cccnc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PGPVWZSARJBXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O/c15-10-11(21-22-7-3-6-19-12(10)22)13(23)20-9-5-2-1-4-8(9)14(16,17)18/h1-7H,(H,20,23).
What are the key properties of 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 340.69 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 5241863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).