1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine

C8H8BrN5 — CID 84804561

IUPAC1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1-c1nccc(Br)n1
InChIInChI=1S/C8H8BrN5/c1-5-4-7(10)13-14(5)8-11-3-2-6(9)12-8/h2-4H,1H3,(H2,10,13)
InChIKeyAKCITZYWKQCVQT-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.32
Rot. Bonds1

About 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine

1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine (PubChem CID 84804561) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine
PubChem CID84804561
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1-c1nccc(Br)n1
InChIInChI=1S/C8H8BrN5/c1-5-4-7(10)13-14(5)8-11-3-2-6(9)12-8/h2-4H,1H3,(H2,10,13)
InChIKeyAKCITZYWKQCVQT-UHFFFAOYSA-N
XLogP1.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine
CID 84808016
1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine
CID 114270448
5-methyl-1-(1-methylpyrazol-3-yl)pyrazol-3-amine
CID 102942950
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
2-(azetidin-1-yl)-4-bromopyrimidine
CID 151172856
1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine
CID 102943093
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821
1-(1,5-dimethylpyrazol-3-yl)-5-methylpyrazol-3-amine
CID 130497130
4-(3-amino-5-methylpyrazol-1-yl)benzonitrile
CID 46705137
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
1-(3-fluoro-5-methylphenyl)-5-methylpyrazol-3-amine
CID 102942937

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine?
The IUPAC name of 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine (CID 84804561) is 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine?
The canonical SMILES for 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine is Cc1cc(N)nn1-c1nccc(Br)n1.
What is the InChIKey of 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine?
The InChIKey is AKCITZYWKQCVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c1-5-4-7(10)13-14(5)8-11-3-2-6(9)12-8/h2-4H,1H3,(H2,10,13).
What are the key properties of 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine?
1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine has a molecular weight of 254.09 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 84804561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).