3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H9ClF3N5O2 — CID 1113787

IUPAC3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C17H9ClF3N5O2/c18-13-14(16(27)23-9-3-1-5-22-8-9)25-26-12(17(19,20)21)7-10(24-15(13)26)11-4-2-6-28-11/h1-8H,(H,23,27)
InChIKeyBIHMZBPRHKXBTA-UHFFFAOYSA-N
MW407.74 g/mol
LogP4.31
Rot. Bonds3

About 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1113787) has the molecular formula C17H9ClF3N5O2 and a molecular weight of 407.74 g/mol. Its IUPAC name is 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1113787
Molecular FormulaC17H9ClF3N5O2
Molecular Weight407.74 g/mol
Exact Mass407.04
IUPAC Name3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C17H9ClF3N5O2/c18-13-14(16(27)23-9-3-1-5-22-8-9)25-26-12(17(19,20)21)7-10(24-15(13)26)11-4-2-6-28-11/h1-8H,(H,23,27)
InChIKeyBIHMZBPRHKXBTA-UHFFFAOYSA-N
XLogP4.31
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1113787) is 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccnc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl.
What is the InChIKey of 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BIHMZBPRHKXBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N5O2/c18-13-14(16(27)23-9-3-1-5-22-8-9)25-26-12(17(19,20)21)7-10(24-15(13)26)11-4-2-6-28-11/h1-8H,(H,23,27).
What are the key properties of 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 407.74 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(furan-2-yl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1113787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).