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

C13H13Cl2N5 — CID 155519819

IUPAC1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2N5/c14-8-4-9(15)6-10(5-8)20-12(16)11(7-19-20)13-17-2-1-3-18-13/h4-7H,1-3,16H2,(H,17,18)
InChIKeyNXEXSPBIKBHMDT-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.50
Rot. Bonds2

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

1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (PubChem CID 155519819) has the molecular formula C13H13Cl2N5 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
PubChem CID155519819
Molecular FormulaC13H13Cl2N5
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2N5/c14-8-4-9(15)6-10(5-8)20-12(16)11(7-19-20)13-17-2-1-3-18-13/h4-7H,1-3,16H2,(H,17,18)
InChIKeyNXEXSPBIKBHMDT-UHFFFAOYSA-N
XLogP2.50
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (CID 155519819) is 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is Nc1c(C2=NCCCN2)cnn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The InChIKey is NXEXSPBIKBHMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5/c14-8-4-9(15)6-10(5-8)20-12(16)11(7-19-20)13-17-2-1-3-18-13/h4-7H,1-3,16H2,(H,17,18).
What are the key properties of 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine has a molecular weight of 310.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is sourced from PubChem (CID 155519819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).