5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H14ClF3N4O2 — CID 1046525

IUPAC5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)NCc1ccco1
InChIInChI=1S/C20H14ClF3N4O2/c1-11-17(19(29)25-10-14-3-2-8-30-14)18-26-15(12-4-6-13(21)7-5-12)9-16(20(22,23)24)28(18)27-11/h2-9H,10H2,1H3,(H,25,29)
InChIKeyQZJQMLYVHQBPPP-UHFFFAOYSA-N
MW434.81 g/mol
LogP4.90
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1046525) has the molecular formula C20H14ClF3N4O2 and a molecular weight of 434.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1046525
Molecular FormulaC20H14ClF3N4O2
Molecular Weight434.81 g/mol
Exact Mass434.08
IUPAC Name5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)NCc1ccco1
InChIInChI=1S/C20H14ClF3N4O2/c1-11-17(19(29)25-10-14-3-2-8-30-14)18-26-15(12-4-6-13(21)7-5-12)9-16(20(22,23)24)28(18)27-11/h2-9H,10H2,1H3,(H,25,29)
InChIKeyQZJQMLYVHQBPPP-UHFFFAOYSA-N
XLogP4.90
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1046525) is 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)NCc1ccco1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QZJQMLYVHQBPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2/c1-11-17(19(29)25-10-14-3-2-8-30-14)18-26-15(12-4-6-13(21)7-5-12)9-16(20(22,23)24)28(18)27-11/h2-9H,10H2,1H3,(H,25,29).
What are the key properties of 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.81 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1046525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).