N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine

C14H21N5 — CID 131951543

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
SMILESCCn1ccc(CNCCNc2ccncc2C)n1
InChIInChI=1S/C14H21N5/c1-3-19-9-5-13(18-19)11-16-7-8-17-14-4-6-15-10-12(14)2/h4-6,9-10,16H,3,7-8,11H2,1-2H3,(H,15,17)
InChIKeyDGASFVUNUQRBPZ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.81
Rot. Bonds7

About N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine

N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine (PubChem CID 131951543) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
PubChem CID131951543
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
SMILESCCn1ccc(CNCCNc2ccncc2C)n1
InChIInChI=1S/C14H21N5/c1-3-19-9-5-13(18-19)11-16-7-8-17-14-4-6-15-10-12(14)2/h4-6,9-10,16H,3,7-8,11H2,1-2H3,(H,15,17)
InChIKeyDGASFVUNUQRBPZ-UHFFFAOYSA-N
XLogP1.81
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.81
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

N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
CID 126968027
N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
CID 19619205
N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline
CID 19619230
N-[(2-chloro-4-fluorophenyl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
CID 68761252
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-5-amine
CID 122166580
(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide
CID 126451165
N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 103462384
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122166579
1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine
CID 131919416
N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 19619321
1-(1-ethylpyrazol-3-yl)-N-[(2-ethylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965982
3-methyl-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 104762427

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine (CID 131951543) is N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine is CCn1ccc(CNCCNc2ccncc2C)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
The InChIKey is DGASFVUNUQRBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-19-9-5-13(18-19)11-16-7-8-17-14-4-6-15-10-12(14)2/h4-6,9-10,16H,3,7-8,11H2,1-2H3,(H,15,17).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine has a molecular weight of 259.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 131951543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).