2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine

C15H23N5O — CID 115989138

IUPAC2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCc2cn(C)nc2CC)ccc1N
InChIInChI=1S/C15H23N5O/c1-4-8-21-15-12(16)6-7-14(18-15)17-9-11-10-20(3)19-13(11)5-2/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyGFHRHTMPOIRXHJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds7

About 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine

2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine (PubChem CID 115989138) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine
PubChem CID115989138
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCc2cn(C)nc2CC)ccc1N
InChIInChI=1S/C15H23N5O/c1-4-8-21-15-12(16)6-7-14(18-15)17-9-11-10-20(3)19-13(11)5-2/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyGFHRHTMPOIRXHJ-UHFFFAOYSA-N
XLogP2.36
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79224387
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
CID 62229237
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 112672189
2-tert-butyl-4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 115991808
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 112668229
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine
CID 133444784
methyl 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoate
CID 115991543
6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 43261223
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 61239615
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 112668224
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine (CID 115989138) is 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine is CCCOc1nc(NCc2cn(C)nc2CC)ccc1N.
What is the InChIKey of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine?
The InChIKey is GFHRHTMPOIRXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-8-21-15-12(16)6-7-14(18-15)17-9-11-10-20(3)19-13(11)5-2/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine?
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine has a molecular weight of 289.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 115989138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).