3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine

C12H14Cl2N4 — CID 102760287

IUPAC3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-n2ccc(C)n2)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-3-5-15-11-9(13)7-10(14)12(16-11)18-6-4-8(2)17-18/h4,6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyKMYSECLTHOOZQQ-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.70
Rot. Bonds4

About 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine

3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine (PubChem CID 102760287) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine
PubChem CID102760287
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-n2ccc(C)n2)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-3-5-15-11-9(13)7-10(14)12(16-11)18-6-4-8(2)17-18/h4,6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyKMYSECLTHOOZQQ-UHFFFAOYSA-N
XLogP3.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-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 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine (CID 102760287) is 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine is CCCNc1nc(-n2ccc(C)n2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine?
The InChIKey is KMYSECLTHOOZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-3-5-15-11-9(13)7-10(14)12(16-11)18-6-4-8(2)17-18/h4,6-7H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine?
3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine has a molecular weight of 285.18 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine is sourced from PubChem (CID 102760287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).