3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine

C14H19Cl2N5 — CID 102760138

IUPAC3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NCCCn2nc(C)cc2C)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N5/c1-9-7-10(2)21(20-9)6-4-5-18-14-12(16)8-11(15)13(17-3)19-14/h7-8H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeyOBOLDFRPPBTJJW-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.75
Rot. Bonds6

About 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine (PubChem CID 102760138) has the molecular formula C14H19Cl2N5 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
PubChem CID102760138
Molecular FormulaC14H19Cl2N5
Molecular Weight328.25 g/mol
Exact Mass327.10
IUPAC Name3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NCCCn2nc(C)cc2C)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N5/c1-9-7-10(2)21(20-9)6-4-5-18-14-12(16)8-11(15)13(17-3)19-14/h7-8H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeyOBOLDFRPPBTJJW-UHFFFAOYSA-N
XLogP3.75
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
CID 114539015
3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
CID 114836170
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114542225
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969
3-chloro-4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114541167
2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
CID 115572685
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115574536
5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine
CID 103553524
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitroaniline
CID 114537549

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine (CID 102760138) is 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine is CNc1nc(NCCCn2nc(C)cc2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine?
The InChIKey is OBOLDFRPPBTJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N5/c1-9-7-10(2)21(20-9)6-4-5-18-14-12(16)8-11(15)13(17-3)19-14/h7-8H,4-6H2,1-3H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine has a molecular weight of 328.25 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102760138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).