4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine

C14H12BrN5 — CID 102921955

IUPAC4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cncnc2)c(-c2cccc(Br)c2)c1N
InChIInChI=1S/C14H12BrN5/c1-20-14(16)12(9-3-2-4-11(15)5-9)13(19-20)10-6-17-8-18-7-10/h2-8H,16H2,1H3
InChIKeyVJKIFRGRSFCGCZ-UHFFFAOYSA-N
MW330.19 g/mol
LogP2.89
Rot. Bonds2

About 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine

4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine (PubChem CID 102921955) has the molecular formula C14H12BrN5 and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
PubChem CID102921955
Molecular FormulaC14H12BrN5
Molecular Weight330.19 g/mol
Exact Mass329.03
IUPAC Name4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cncnc2)c(-c2cccc(Br)c2)c1N
InChIInChI=1S/C14H12BrN5/c1-20-14(16)12(9-3-2-4-11(15)5-9)13(19-20)10-6-17-8-18-7-10/h2-8H,16H2,1H3
InChIKeyVJKIFRGRSFCGCZ-UHFFFAOYSA-N
XLogP2.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine
CID 104785963
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972
4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
CID 43560840
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124
1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921938
3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336312
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43629973

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine (CID 102921955) is 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine is Cn1nc(-c2cncnc2)c(-c2cccc(Br)c2)c1N.
What is the InChIKey of 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The InChIKey is VJKIFRGRSFCGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5/c1-20-14(16)12(9-3-2-4-11(15)5-9)13(19-20)10-6-17-8-18-7-10/h2-8H,16H2,1H3.
What are the key properties of 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine has a molecular weight of 330.19 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine is sourced from PubChem (CID 102921955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).