N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine

C18H19BrN4 — CID 167745415

IUPACN-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
SMILESBrc1cnn2ccc(NCC3(Cc4ccccc4)CCC3)nc12
InChIInChI=1S/C18H19BrN4/c19-15-12-21-23-10-7-16(22-17(15)23)20-13-18(8-4-9-18)11-14-5-2-1-3-6-14/h1-3,5-7,10,12H,4,8-9,11,13H2,(H,20,22)
InChIKeyHGBNOOZVEOBTSF-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.32
Rot. Bonds5

About N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine

N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 167745415) has the molecular formula C18H19BrN4 and a molecular weight of 371.28 g/mol. Its IUPAC name is N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID167745415
Molecular FormulaC18H19BrN4
Molecular Weight371.28 g/mol
Exact Mass370.08
IUPAC NameN-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
SMILESBrc1cnn2ccc(NCC3(Cc4ccccc4)CCC3)nc12
InChIInChI=1S/C18H19BrN4/c19-15-12-21-23-10-7-16(22-17(15)23)20-13-18(8-4-9-18)11-14-5-2-1-3-6-14/h1-3,5-7,10,12H,4,8-9,11,13H2,(H,20,22)
InChIKeyHGBNOOZVEOBTSF-UHFFFAOYSA-N
XLogP4.32
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine (CID 167745415) is N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine is Brc1cnn2ccc(NCC3(Cc4ccccc4)CCC3)nc12.
What is the InChIKey of N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is HGBNOOZVEOBTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4/c19-15-12-21-23-10-7-16(22-17(15)23)20-13-18(8-4-9-18)11-14-5-2-1-3-6-14/h1-3,5-7,10,12H,4,8-9,11,13H2,(H,20,22).
What are the key properties of N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine?
N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 371.28 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 167745415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).