2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C16H18F3N5O3 — CID 172615207

IUPAC2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCC(F)(F)CC3F)ccnc2c1C(N)=O
InChIInChI=1S/C16H18F3N5O3/c1-27-7-10-12(13(20)25)14-21-5-3-11(24(14)23-10)15(26)22-9-2-4-16(18,19)6-8(9)17/h3,5,8-9H,2,4,6-7H2,1H3,(H2,20,25)(H,22,26)
InChIKeyRUYOJDVAWZDEOI-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.23
Rot. Bonds5

About 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615207) has the molecular formula C16H18F3N5O3 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615207
Molecular FormulaC16H18F3N5O3
Molecular Weight385.35 g/mol
Exact Mass385.14
IUPAC Name2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCC(F)(F)CC3F)ccnc2c1C(N)=O
InChIInChI=1S/C16H18F3N5O3/c1-27-7-10-12(13(20)25)14-21-5-3-11(24(14)23-10)15(26)22-9-2-4-16(18,19)6-8(9)17/h3,5,8-9H,2,4,6-7H2,1H3,(H2,20,25)(H,22,26)
InChIKeyRUYOJDVAWZDEOI-UHFFFAOYSA-N
XLogP1.23
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615207) is 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)NC3CCC(F)(F)CC3F)ccnc2c1C(N)=O.
What is the InChIKey of 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is RUYOJDVAWZDEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3/c1-27-7-10-12(13(20)25)14-21-5-3-11(24(14)23-10)15(26)22-9-2-4-16(18,19)6-8(9)17/h3,5,8-9H,2,4,6-7H2,1H3,(H2,20,25)(H,22,26).
What are the key properties of 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 385.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).