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

C13H12F3N5O3 — CID 172615130

IUPAC7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12
InChIInChI=1S/C13H12F3N5O3/c14-13(15,16)24-7-3-6(4-7)20-12(23)9-1-2-18-11-8(10(17)22)5-19-21(9)11/h1-2,5-7H,3-4H2,(H2,17,22)(H,20,23)
InChIKeySRFNTXUIBNJDBL-UHFFFAOYSA-N
MW343.27 g/mol
LogP0.63
Rot. Bonds4

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

7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615130) has the molecular formula C13H12F3N5O3 and a molecular weight of 343.27 g/mol. Its IUPAC name is 7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615130
Molecular FormulaC13H12F3N5O3
Molecular Weight343.27 g/mol
Exact Mass343.09
IUPAC Name7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12
InChIInChI=1S/C13H12F3N5O3/c14-13(15,16)24-7-3-6(4-7)20-12(23)9-1-2-18-11-8(10(17)22)5-19-21(9)11/h1-2,5-7H,3-4H2,(H2,17,22)(H,20,23)
InChIKeySRFNTXUIBNJDBL-UHFFFAOYSA-N
XLogP0.63
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
N-[(1S)-2,2-difluorocyclobutyl]-5-[[1-(3-methoxycyclobutyl)-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560160
N-(2,2-difluorocyclobutyl)-5-[[1-(3-methoxycyclobutyl)-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560162
N-[(1R)-2,2-difluorocyclobutyl]-5-[[1-(3-methoxycyclobutyl)-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572517
N-(2,2-difluoroethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134795310
N-cyclopropyl-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171787
N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134794414
N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 169423319
N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 74235987
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 164633631
N-[(3S)-4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 164633780

Frequently Asked Questions

What is the IUPAC name of 7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615130) is 7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1cnn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12.
What is the InChIKey of 7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is SRFNTXUIBNJDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O3/c14-13(15,16)24-7-3-6(4-7)20-12(23)9-1-2-18-11-8(10(17)22)5-19-21(9)11/h1-2,5-7H,3-4H2,(H2,17,22)(H,20,23).
What are the key properties of 7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 343.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).