(E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol

C9H8BrN3O — CID 130354106

IUPAC(E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol
SMILESOC/C=C/c1ccn2ncc(Br)c2n1
InChIInChI=1S/C9H8BrN3O/c10-8-6-11-13-4-3-7(2-1-5-14)12-9(8)13/h1-4,6,14H,5H2/b2-1+
InChIKeyKUPUHRVXSNUYSD-OWOJBTEDSA-N
MW254.09 g/mol
LogP1.50
Rot. Bonds2

About (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol

(E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol (PubChem CID 130354106) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol
PubChem CID130354106
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name(E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol
SMILESOC/C=C/c1ccn2ncc(Br)c2n1
InChIInChI=1S/C9H8BrN3O/c10-8-6-11-13-4-3-7(2-1-5-14)12-9(8)13/h1-4,6,14H,5H2/b2-1+
InChIKeyKUPUHRVXSNUYSD-OWOJBTEDSA-N
XLogP1.50
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-enyl] methanesulfonate
CID 130354107
3-bromo-5-[(E)-3-[(2S)-2-(2,3,3-trimethylbutan-2-yloxymethyl)pyrrolidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine
CID 130354110
3-(1-methylpyrazol-3-yl)prop-2-en-1-ol
CID 169452822
3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 167854146
2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)sulfanylethanamine
CID 90448234
5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 175176217
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol
CID 167974820
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)propyl-methylcarbamic acid
CID 118162717
3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 138690062
tert-butyl N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-N-(2-hydroxyethyl)carbamate
CID 90448134
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2-phenylbutan-2-ol
CID 167948226
2-[[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]-3-(4-methylphenyl)propan-1-ol
CID 167879216

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol (CID 130354106) is (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol is OC/C=C/c1ccn2ncc(Br)c2n1.
What is the InChIKey of (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol?
The InChIKey is KUPUHRVXSNUYSD-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-8-6-11-13-4-3-7(2-1-5-14)12-9(8)13/h1-4,6,14H,5H2/b2-1+.
What are the key properties of (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol?
(E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol has a molecular weight of 254.09 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 130354106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).