N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine

C18H19BrN4 — CID 167876845

IUPACN-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
SMILESBrc1cnn2ccc(NC3CCCC3Cc3ccccc3)nc12
InChIInChI=1S/C18H19BrN4/c19-15-12-20-23-10-9-17(22-18(15)23)21-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,16H,4,7-8,11H2,(H,21,22)
InChIKeyHLNWNWNVZDUBIO-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.32
Rot. Bonds4

About N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine

N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 167876845) has the molecular formula C18H19BrN4 and a molecular weight of 371.28 g/mol. Its IUPAC name is N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID167876845
Molecular FormulaC18H19BrN4
Molecular Weight371.28 g/mol
Exact Mass370.08
IUPAC NameN-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
SMILESBrc1cnn2ccc(NC3CCCC3Cc3ccccc3)nc12
InChIInChI=1S/C18H19BrN4/c19-15-12-20-23-10-9-17(22-18(15)23)21-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,16H,4,7-8,11H2,(H,21,22)
InChIKeyHLNWNWNVZDUBIO-UHFFFAOYSA-N
XLogP4.32
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
CID 167745415
3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol
CID 167986175
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 151211392
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2-phenylbutan-2-ol
CID 167948226
1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol
CID 167754769
3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine
CID 143598135
ethyl 2-benzyl-3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propanoate
CID 167837407
5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine
CID 106365396
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167811303
3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167907324

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine (CID 167876845) is N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine is Brc1cnn2ccc(NC3CCCC3Cc3ccccc3)nc12.
What is the InChIKey of N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is HLNWNWNVZDUBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4/c19-15-12-20-23-10-9-17(22-18(15)23)21-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,16H,4,7-8,11H2,(H,21,22).
What are the key properties of N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine?
N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 371.28 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 167876845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).