3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C14H12F3N5O3 — CID 172615446

IUPAC3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESN#Cc1c(CO)nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12
InChIInChI=1S/C14H12F3N5O3/c15-14(16,17)25-8-3-7(4-8)20-13(24)11-1-2-19-12-9(5-18)10(6-23)21-22(11)12/h1-2,7-8,23H,3-4,6H2,(H,20,24)
InChIKeyAZGHDZARVOLMCP-UHFFFAOYSA-N
MW355.28 g/mol
LogP0.89
Rot. Bonds4

About 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 172615446) has the molecular formula C14H12F3N5O3 and a molecular weight of 355.28 g/mol. Its IUPAC name is 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID172615446
Molecular FormulaC14H12F3N5O3
Molecular Weight355.28 g/mol
Exact Mass355.09
IUPAC Name3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESN#Cc1c(CO)nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12
InChIInChI=1S/C14H12F3N5O3/c15-14(16,17)25-8-3-7(4-8)20-13(24)11-1-2-19-12-9(5-18)10(6-23)21-22(11)12/h1-2,7-8,23H,3-4,6H2,(H,20,24)
InChIKeyAZGHDZARVOLMCP-UHFFFAOYSA-N
XLogP0.89
TPSA112.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-2-(bromomethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615126
3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615282
2-cyclopropyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615470
3-cyano-N-(2,3-dihydro-1H-inden-2-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carbothioamide
CID 172615385
7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615494
7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615168
7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615187
N-[1-[3-(1-aminoethenyl)-2-(2-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethenyl]-3-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 172615190
7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615614
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
CID 104578357
N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236448

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 172615446) is 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is N#Cc1c(CO)nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12.
What is the InChIKey of 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is AZGHDZARVOLMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O3/c15-14(16,17)25-8-3-7(4-8)20-13(24)11-1-2-19-12-9(5-18)10(6-23)21-22(11)12/h1-2,7-8,23H,3-4,6H2,(H,20,24).
What are the key properties of 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 172615446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).