2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C16H18F3N5O3 — CID 172615314

IUPAC2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCCCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C16H18F3N5O3/c1-2-3-10-12(13(20)25)14-21-5-4-11(24(14)23-10)15(26)22-8-6-9(7-8)27-16(17,18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H2,20,25)(H,22,26)
InChIKeyFKSFLTUGXUZFCC-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.58
Rot. Bonds6

About 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615314) has the molecular formula C16H18F3N5O3 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615314
Molecular FormulaC16H18F3N5O3
Molecular Weight385.35 g/mol
Exact Mass385.14
IUPAC Name2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCCCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C16H18F3N5O3/c1-2-3-10-12(13(20)25)14-21-5-4-11(24(14)23-10)15(26)22-8-6-9(7-8)27-16(17,18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H2,20,25)(H,22,26)
InChIKeyFKSFLTUGXUZFCC-UHFFFAOYSA-N
XLogP1.58
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615314) is 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is CCCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O.
What is the InChIKey of 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is FKSFLTUGXUZFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3/c1-2-3-10-12(13(20)25)14-21-5-4-11(24(14)23-10)15(26)22-8-6-9(7-8)27-16(17,18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H2,20,25)(H,22,26).
What are the key properties of 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 385.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).