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

C15H12ClF3N4O2 — CID 1068704

IUPAC3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C15H12ClF3N4O2/c1-7(2)20-14(24)12-11(16)13-21-8(9-4-3-5-25-9)6-10(15(17,18)19)23(13)22-12/h3-7H,1-2H3,(H,20,24)
InChIKeyQKXKUIAPPYXYNS-UHFFFAOYSA-N
MW372.73 g/mol
LogP3.80
Rot. Bonds3

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

3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1068704) has the molecular formula C15H12ClF3N4O2 and a molecular weight of 372.73 g/mol. Its IUPAC name is 3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1068704
Molecular FormulaC15H12ClF3N4O2
Molecular Weight372.73 g/mol
Exact Mass372.06
IUPAC Name3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C15H12ClF3N4O2/c1-7(2)20-14(24)12-11(16)13-21-8(9-4-3-5-25-9)6-10(15(17,18)19)23(13)22-12/h3-7H,1-2H3,(H,20,24)
InChIKeyQKXKUIAPPYXYNS-UHFFFAOYSA-N
XLogP3.80
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1068704) is 3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl.
What is the InChIKey of 3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QKXKUIAPPYXYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O2/c1-7(2)20-14(24)12-11(16)13-21-8(9-4-3-5-25-9)6-10(15(17,18)19)23(13)22-12/h3-7H,1-2H3,(H,20,24).
What are the key properties of 3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 372.73 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1068704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).