3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C14H10BrF2N5O2 — CID 172615482

IUPAC3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1ccnc2c(Br)c(-c3ncco3)nn12
InChIInChI=1S/C14H10BrF2N5O2/c15-9-10(13-19-3-4-24-13)21-22-8(1-2-18-11(9)22)12(23)20-7-5-14(16,17)6-7/h1-4,7H,5-6H2,(H,20,23)
InChIKeyUYURIRYLXYQFOD-UHFFFAOYSA-N
MW398.17 g/mol
LogP2.67
Rot. Bonds3

About 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 172615482) has the molecular formula C14H10BrF2N5O2 and a molecular weight of 398.17 g/mol. Its IUPAC name is 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID172615482
Molecular FormulaC14H10BrF2N5O2
Molecular Weight398.17 g/mol
Exact Mass397.00
IUPAC Name3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1ccnc2c(Br)c(-c3ncco3)nn12
InChIInChI=1S/C14H10BrF2N5O2/c15-9-10(13-19-3-4-24-13)21-22-8(1-2-18-11(9)22)12(23)20-7-5-14(16,17)6-7/h1-4,7H,5-6H2,(H,20,23)
InChIKeyUYURIRYLXYQFOD-UHFFFAOYSA-N
XLogP2.67
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615614
7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615593
7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615168
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
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
6-bromo-3-cyano-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615541
N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
CID 126791351
6-amino-N-(3,3-difluorocyclobutyl)pyridine-3-carboxamide
CID 171037193
5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide
CID 146021313
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429
7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615362

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 172615482) is 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C(NC1CC(F)(F)C1)c1ccnc2c(Br)c(-c3ncco3)nn12.
What is the InChIKey of 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is UYURIRYLXYQFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N5O2/c15-9-10(13-19-3-4-24-13)21-22-8(1-2-18-11(9)22)12(23)20-7-5-14(16,17)6-7/h1-4,7H,5-6H2,(H,20,23).
What are the key properties of 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 398.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 172615482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).