5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H15ClF3N5O — CID 151295729

IUPAC5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccc(Cl)cn2)nc2cc(C(=O)NC(C3CC3)C(F)(F)F)nn12
InChIInChI=1S/C18H15ClF3N5O/c1-9-6-13(12-5-4-11(19)8-23-12)24-15-7-14(26-27(9)15)17(28)25-16(10-2-3-10)18(20,21)22/h4-8,10,16H,2-3H2,1H3,(H,25,28)
InChIKeyOBJBPFRNYKQEGI-UHFFFAOYSA-N
MW409.80 g/mol
LogP3.82
Rot. Bonds4

About 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 151295729) has the molecular formula C18H15ClF3N5O and a molecular weight of 409.80 g/mol. Its IUPAC name is 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID151295729
Molecular FormulaC18H15ClF3N5O
Molecular Weight409.80 g/mol
Exact Mass409.09
IUPAC Name5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccc(Cl)cn2)nc2cc(C(=O)NC(C3CC3)C(F)(F)F)nn12
InChIInChI=1S/C18H15ClF3N5O/c1-9-6-13(12-5-4-11(19)8-23-12)24-15-7-14(26-27(9)15)17(28)25-16(10-2-3-10)18(20,21)22/h4-8,10,16H,2-3H2,1H3,(H,25,28)
InChIKeyOBJBPFRNYKQEGI-UHFFFAOYSA-N
XLogP3.82
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 151295729) is 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(-c2ccc(Cl)cn2)nc2cc(C(=O)NC(C3CC3)C(F)(F)F)nn12.
What is the InChIKey of 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OBJBPFRNYKQEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N5O/c1-9-6-13(12-5-4-11(19)8-23-12)24-15-7-14(26-27(9)15)17(28)25-16(10-2-3-10)18(20,21)22/h4-8,10,16H,2-3H2,1H3,(H,25,28).
What are the key properties of 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 409.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 151295729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).