2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine

C17H20BrN5 — CID 167753854

IUPAC2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
SMILESCC(Nc1nccn2ncc(Br)c12)C(c1ccccc1)N(C)C
InChIInChI=1S/C17H20BrN5/c1-12(15(22(2)3)13-7-5-4-6-8-13)21-17-16-14(18)11-20-23(16)10-9-19-17/h4-12,15H,1-3H3,(H,19,21)
InChIKeyUVHYKCCIIPAXQP-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.60
Rot. Bonds5

About 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine

2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine (PubChem CID 167753854) has the molecular formula C17H20BrN5 and a molecular weight of 374.29 g/mol. Its IUPAC name is 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
PubChem CID167753854
Molecular FormulaC17H20BrN5
Molecular Weight374.29 g/mol
Exact Mass373.09
IUPAC Name2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
SMILESCC(Nc1nccn2ncc(Br)c12)C(c1ccccc1)N(C)C
InChIInChI=1S/C17H20BrN5/c1-12(15(22(2)3)13-7-5-4-6-8-13)21-17-16-14(18)11-20-23(16)10-9-19-17/h4-12,15H,1-3H3,(H,19,21)
InChIKeyUVHYKCCIIPAXQP-UHFFFAOYSA-N
XLogP3.60
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine (CID 167753854) is 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine is CC(Nc1nccn2ncc(Br)c12)C(c1ccccc1)N(C)C.
What is the InChIKey of 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine?
The InChIKey is UVHYKCCIIPAXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5/c1-12(15(22(2)3)13-7-5-4-6-8-13)21-17-16-14(18)11-20-23(16)10-9-19-17/h4-12,15H,1-3H3,(H,19,21).
What are the key properties of 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine?
2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine has a molecular weight of 374.29 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 167753854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).