1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine

C13H14BrN5 — CID 155514256

IUPAC1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1cccc(Br)c1
InChIInChI=1S/C13H14BrN5/c14-9-3-1-4-10(7-9)19-12(15)11(8-18-19)13-16-5-2-6-17-13/h1,3-4,7-8H,2,5-6,15H2,(H,16,17)
InChIKeyAVENQUNIWGVGJW-UHFFFAOYSA-N
MW320.19 g/mol
LogP1.96
Rot. Bonds2

About 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine

1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (PubChem CID 155514256) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
PubChem CID155514256
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1cccc(Br)c1
InChIInChI=1S/C13H14BrN5/c14-9-3-1-4-10(7-9)19-12(15)11(8-18-19)13-16-5-2-6-17-13/h1,3-4,7-8H,2,5-6,15H2,(H,16,17)
InChIKeyAVENQUNIWGVGJW-UHFFFAOYSA-N
XLogP1.96
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (CID 155514256) is 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is Nc1c(C2=NCCCN2)cnn1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The InChIKey is AVENQUNIWGVGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c14-9-3-1-4-10(7-9)19-12(15)11(8-18-19)13-16-5-2-6-17-13/h1,3-4,7-8H,2,5-6,15H2,(H,16,17).
What are the key properties of 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine has a molecular weight of 320.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is sourced from PubChem (CID 155514256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).