N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine

C15H19BrN4 — CID 167790545

IUPACN-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine
SMILESBrc1cnn2ccnc(NCC3C4CCCCCC43)c12
InChIInChI=1S/C15H19BrN4/c16-13-9-19-20-7-6-17-15(14(13)20)18-8-12-10-4-2-1-3-5-11(10)12/h6-7,9-12H,1-5,8H2,(H,17,18)
InChIKeyJEMKMUMLSCDVFA-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.73
Rot. Bonds3

About N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine

N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 167790545) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine
PubChem CID167790545
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC NameN-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine
SMILESBrc1cnn2ccnc(NCC3C4CCCCCC43)c12
InChIInChI=1S/C15H19BrN4/c16-13-9-19-20-7-6-17-15(14(13)20)18-8-12-10-4-2-1-3-5-11(10)12/h6-7,9-12H,1-5,8H2,(H,17,18)
InChIKeyJEMKMUMLSCDVFA-UHFFFAOYSA-N
XLogP3.73
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
CID 167982429
N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine
CID 167890633
2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol
CID 167917745
3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 154868114
5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol
CID 167952717
2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 113446377
N-[[(1R,6S)-7-bicyclo[4.1.0]heptanyl]methyl]-3-[(1S,4S)-2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl]pyrazin-2-amine
CID 167784012
2-N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
CID 167753854
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
4-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile
CID 135241405
N-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)-1-phenylbutane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 166304617
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 80784182

Frequently Asked Questions

What is the IUPAC name of N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine (CID 167790545) is N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine is Brc1cnn2ccnc(NCC3C4CCCCCC43)c12.
What is the InChIKey of N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is JEMKMUMLSCDVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c16-13-9-19-20-7-6-17-15(14(13)20)18-8-12-10-4-2-1-3-5-11(10)12/h6-7,9-12H,1-5,8H2,(H,17,18).
What are the key properties of N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine?
N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 335.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 167790545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).