5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20F3N5O2 — CID 4769553

IUPAC5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)14-9-13(11-4-5-11)24-16-12(10-23-26(14)16)17(28)22-6-2-8-25-7-1-3-15(25)27/h9-11H,1-8H2,(H,22,28)
InChIKeySNUAIRXAQRGIPH-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.37
Rot. Bonds6

About 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4769553) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4769553
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)14-9-13(11-4-5-11)24-16-12(10-23-26(14)16)17(28)22-6-2-8-25-7-1-3-15(25)27/h9-11H,1-8H2,(H,22,28)
InChIKeySNUAIRXAQRGIPH-UHFFFAOYSA-N
XLogP2.37
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4769553) is 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SNUAIRXAQRGIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c19-18(20,21)14-9-13(11-4-5-11)24-16-12(10-23-26(14)16)17(28)22-6-2-8-25-7-1-3-15(25)27/h9-11H,1-8H2,(H,22,28).
What are the key properties of 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4769553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).