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

C20H15ClF3N5O2 — CID 1113762

IUPAC3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C20H15ClF3N5O2/c1-28(9-7-12-5-2-3-8-25-12)19(30)17-16(21)18-26-13(14-6-4-10-31-14)11-15(20(22,23)24)29(18)27-17/h2-6,8,10-11H,7,9H2,1H3
InChIKeyORXBNKXEHOUQRP-UHFFFAOYSA-N
MW449.82 g/mol
LogP4.37
Rot. Bonds5

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

3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1113762) has the molecular formula C20H15ClF3N5O2 and a molecular weight of 449.82 g/mol. Its IUPAC name is 3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1113762
Molecular FormulaC20H15ClF3N5O2
Molecular Weight449.82 g/mol
Exact Mass449.09
IUPAC Name3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl
InChIInChI=1S/C20H15ClF3N5O2/c1-28(9-7-12-5-2-3-8-25-12)19(30)17-16(21)18-26-13(14-6-4-10-31-14)11-15(20(22,23)24)29(18)27-17/h2-6,8,10-11H,7,9H2,1H3
InChIKeyORXBNKXEHOUQRP-UHFFFAOYSA-N
XLogP4.37
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.82
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1113762) is 3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(CCc1ccccn1)C(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl.
What is the InChIKey of 3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ORXBNKXEHOUQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5O2/c1-28(9-7-12-5-2-3-8-25-12)19(30)17-16(21)18-26-13(14-6-4-10-31-14)11-15(20(22,23)24)29(18)27-17/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 449.82 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1113762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).