7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H11BrN4O — CID 177372555

IUPAC7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(-c3ccc(Br)cc3)ccnc2c1C(N)=O
InChIInChI=1S/C14H11BrN4O/c1-8-12(13(16)20)14-17-7-6-11(19(14)18-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,16,20)
InChIKeyOGJHYZPOJBSQJC-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.57
Rot. Bonds2

About 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 177372555) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID177372555
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(-c3ccc(Br)cc3)ccnc2c1C(N)=O
InChIInChI=1S/C14H11BrN4O/c1-8-12(13(16)20)14-17-7-6-11(19(14)18-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,16,20)
InChIKeyOGJHYZPOJBSQJC-UHFFFAOYSA-N
XLogP2.57
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 177372555) is 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(-c3ccc(Br)cc3)ccnc2c1C(N)=O.
What is the InChIKey of 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OGJHYZPOJBSQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-8-12(13(16)20)14-17-7-6-11(19(14)18-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,16,20).
What are the key properties of 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 177372555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).