6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C14H18BrN7 — CID 71108511

IUPAC6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNCCc1nc2c(-c3cn[nH]c3)cnn2c(N)c1Br
InChIInChI=1S/C14H18BrN7/c1-2-4-17-5-3-11-12(15)13(16)22-14(21-11)10(8-20-22)9-6-18-19-7-9/h6-8,17H,2-5,16H2,1H3,(H,18,19)
InChIKeyXDHPABNVXXDRFC-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.01
Rot. Bonds6

About 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71108511) has the molecular formula C14H18BrN7 and a molecular weight of 364.25 g/mol. Its IUPAC name is 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71108511
Molecular FormulaC14H18BrN7
Molecular Weight364.25 g/mol
Exact Mass363.08
IUPAC Name6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNCCc1nc2c(-c3cn[nH]c3)cnn2c(N)c1Br
InChIInChI=1S/C14H18BrN7/c1-2-4-17-5-3-11-12(15)13(16)22-14(21-11)10(8-20-22)9-6-18-19-7-9/h6-8,17H,2-5,16H2,1H3,(H,18,19)
InChIKeyXDHPABNVXXDRFC-UHFFFAOYSA-N
XLogP2.01
TPSA96.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71108511) is 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCCNCCc1nc2c(-c3cn[nH]c3)cnn2c(N)c1Br.
What is the InChIKey of 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XDHPABNVXXDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN7/c1-2-4-17-5-3-11-12(15)13(16)22-14(21-11)10(8-20-22)9-6-18-19-7-9/h6-8,17H,2-5,16H2,1H3,(H,18,19).
What are the key properties of 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.25 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71108511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).