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

C13H13BrF2N4O2 — CID 172615195

IUPAC3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOCc1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1Br
InChIInChI=1S/C13H13BrF2N4O2/c1-22-6-8-10(14)11-17-3-2-9(20(11)19-8)12(21)18-7-4-13(15,16)5-7/h2-3,7H,4-6H2,1H3,(H,18,21)
InChIKeyWBTWRBATJFZISU-UHFFFAOYSA-N
MW375.17 g/mol
LogP2.17
Rot. Bonds4

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

3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 172615195) has the molecular formula C13H13BrF2N4O2 and a molecular weight of 375.17 g/mol. Its IUPAC name is 3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID172615195
Molecular FormulaC13H13BrF2N4O2
Molecular Weight375.17 g/mol
Exact Mass374.02
IUPAC Name3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOCc1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1Br
InChIInChI=1S/C13H13BrF2N4O2/c1-22-6-8-10(14)11-17-3-2-9(20(11)19-8)12(21)18-7-4-13(15,16)5-7/h2-3,7H,4-6H2,1H3,(H,18,21)
InChIKeyWBTWRBATJFZISU-UHFFFAOYSA-N
XLogP2.17
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 172615195) is 3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is COCc1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1Br.
What is the InChIKey of 3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is WBTWRBATJFZISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N4O2/c1-22-6-8-10(14)11-17-3-2-9(20(11)19-8)12(21)18-7-4-13(15,16)5-7/h2-3,7H,4-6H2,1H3,(H,18,21).
What are the key properties of 3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 375.17 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 172615195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).