N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine

C13H18N4O — CID 81346536

IUPACN-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1cc(C)nn1C
InChIInChI=1S/C13H18N4O/c1-4-14-8-11-9-15-6-5-12(11)18-13-7-10(2)16-17(13)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyKCCWDSQURCCPJO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds5

About N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine

N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine (PubChem CID 81346536) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine
PubChem CID81346536
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1cc(C)nn1C
InChIInChI=1S/C13H18N4O/c1-4-14-8-11-9-15-6-5-12(11)18-13-7-10(2)16-17(13)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyKCCWDSQURCCPJO-UHFFFAOYSA-N
XLogP2.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81346614
N-[[4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]ethanamine
CID 116793323
N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 81345922
N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81334032
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81251297
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methyl]ethanamine
CID 81250662
N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 116690059
N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
CID 81255386
N-[[3-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]methyl]ethanamine
CID 81346176

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine (CID 81346536) is N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1Oc1cc(C)nn1C.
What is the InChIKey of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine?
The InChIKey is KCCWDSQURCCPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-14-8-11-9-15-6-5-12(11)18-13-7-10(2)16-17(13)3/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine?
N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81346536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).