1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol

C16H23BrN4O — CID 167754769

IUPAC1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol
SMILESCC(O)(CNc1ccn2ncc(Br)c2n1)CC1CCCCC1
InChIInChI=1S/C16H23BrN4O/c1-16(22,9-12-5-3-2-4-6-12)11-18-14-7-8-21-15(20-14)13(17)10-19-21/h7-8,10,12,22H,2-6,9,11H2,1H3,(H,18,20)
InChIKeyZBXXJZALXWSDPJ-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.63
Rot. Bonds5

About 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol

1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol (PubChem CID 167754769) has the molecular formula C16H23BrN4O and a molecular weight of 367.29 g/mol. Its IUPAC name is 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol
PubChem CID167754769
Molecular FormulaC16H23BrN4O
Molecular Weight367.29 g/mol
Exact Mass366.11
IUPAC Name1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol
SMILESCC(O)(CNc1ccn2ncc(Br)c2n1)CC1CCCCC1
InChIInChI=1S/C16H23BrN4O/c1-16(22,9-12-5-3-2-4-6-12)11-18-14-7-8-21-15(20-14)13(17)10-19-21/h7-8,10,12,22H,2-6,9,11H2,1H3,(H,18,20)
InChIKeyZBXXJZALXWSDPJ-UHFFFAOYSA-N
XLogP3.63
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2-phenylbutan-2-ol
CID 167948226
tert-butyl (2S)-2-[[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 86697430
N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129
3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol
CID 167986175
1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one
CID 167973333
N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
CID 167745415
2-[[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]-3-(4-methylphenyl)propan-1-ol
CID 167879216
N-(2-benzylcyclopentyl)-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
CID 167876845
3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 167854146
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol
CID 167974820
3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 167886338
(2S)-2-N-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 167915384

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol (CID 167754769) is 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol is CC(O)(CNc1ccn2ncc(Br)c2n1)CC1CCCCC1.
What is the InChIKey of 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol?
The InChIKey is ZBXXJZALXWSDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O/c1-16(22,9-12-5-3-2-4-6-12)11-18-14-7-8-21-15(20-14)13(17)10-19-21/h7-8,10,12,22H,2-6,9,11H2,1H3,(H,18,20).
What are the key properties of 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol?
1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol has a molecular weight of 367.29 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-cyclohexyl-2-methylpropan-2-ol is sourced from PubChem (CID 167754769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).