2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine

C14H21N5 — CID 114536202

IUPAC2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(C)n(CCCNc2cc(C)c(N)cn2)n1
InChIInChI=1S/C14H21N5/c1-10-7-14(17-9-13(10)15)16-5-4-6-19-12(3)8-11(2)18-19/h7-9H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyQJLQSMOTOOLQTJ-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.29
Rot. Bonds5

About 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine

2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine (PubChem CID 114536202) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
PubChem CID114536202
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(C)n(CCCNc2cc(C)c(N)cn2)n1
InChIInChI=1S/C14H21N5/c1-10-7-14(17-9-13(10)15)16-5-4-6-19-12(3)8-11(2)18-19/h7-9H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyQJLQSMOTOOLQTJ-UHFFFAOYSA-N
XLogP2.29
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.29
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

2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine
CID 104696655
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114542225
4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 79176053
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 114542222
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid
CID 115576441
5-[(5-amino-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106119726
3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
CID 114836170
5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine
CID 103553524
2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
CID 114539587
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine (CID 114536202) is 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine is Cc1cc(C)n(CCCNc2cc(C)c(N)cn2)n1.
What is the InChIKey of 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine?
The InChIKey is QJLQSMOTOOLQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10-7-14(17-9-13(10)15)16-5-4-6-19-12(3)8-11(2)18-19/h7-9H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine?
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 114536202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).