N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H14F4N6O2 — CID 654644

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C22H14F4N6O2/c23-14-5-3-13(4-6-14)11-31-12-15(10-27-31)28-21(33)17-9-20-29-16(18-2-1-7-34-18)8-19(22(24,25)26)32(20)30-17/h1-10,12H,11H2,(H,28,33)
InChIKeyHSRKTALGGYHIPX-UHFFFAOYSA-N
MW470.39 g/mol
LogP4.64
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 654644) has the molecular formula C22H14F4N6O2 and a molecular weight of 470.39 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID654644
Molecular FormulaC22H14F4N6O2
Molecular Weight470.39 g/mol
Exact Mass470.11
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C22H14F4N6O2/c23-14-5-3-13(4-6-14)11-31-12-15(10-27-31)28-21(33)17-9-20-29-16(18-2-1-7-34-18)8-19(22(24,25)26)32(20)30-17/h1-10,12H,11H2,(H,28,33)
InChIKeyHSRKTALGGYHIPX-UHFFFAOYSA-N
XLogP4.64
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 654644) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HSRKTALGGYHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N6O2/c23-14-5-3-13(4-6-14)11-31-12-15(10-27-31)28-21(33)17-9-20-29-16(18-2-1-7-34-18)8-19(22(24,25)26)32(20)30-17/h1-10,12H,11H2,(H,28,33).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 470.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 654644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).