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

C14H14F3N5O3 — CID 172615326

IUPAC2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C14H14F3N5O3/c1-6-10(11(18)23)12-19-3-2-9(22(12)21-6)13(24)20-7-4-8(5-7)25-14(15,16)17/h2-3,7-8H,4-5H2,1H3,(H2,18,23)(H,20,24)
InChIKeyAVZJXWGPMJADEL-UHFFFAOYSA-N
MW357.29 g/mol
LogP0.93
Rot. Bonds4

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

2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615326) has the molecular formula C14H14F3N5O3 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615326
Molecular FormulaC14H14F3N5O3
Molecular Weight357.29 g/mol
Exact Mass357.10
IUPAC Name2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C14H14F3N5O3/c1-6-10(11(18)23)12-19-3-2-9(22(12)21-6)13(24)20-7-4-8(5-7)25-14(15,16)17/h2-3,7-8H,4-5H2,1H3,(H2,18,23)(H,20,24)
InChIKeyAVZJXWGPMJADEL-UHFFFAOYSA-N
XLogP0.93
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134794414
5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 164630048
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
7-N-[(4,4-difluorocyclohexyl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 128270443
N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 142664033
7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 146124124
5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560057
2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide
CID 157030538
N-[[7-[(4,4-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 157030656
7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 166190943
N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 166825438

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615326) is 2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is Cc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O.
What is the InChIKey of 2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is AVZJXWGPMJADEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3/c1-6-10(11(18)23)12-19-3-2-9(22(12)21-6)13(24)20-7-4-8(5-7)25-14(15,16)17/h2-3,7-8H,4-5H2,1H3,(H2,18,23)(H,20,24).
What are the key properties of 2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 357.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).