[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol

C12H23N3O2 — CID 63696879

IUPAC[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCOCCN(CC)c1c(CO)c(C)nn1C
InChIInChI=1S/C12H23N3O2/c1-5-15(7-8-17-6-2)12-11(9-16)10(3)13-14(12)4/h16H,5-9H2,1-4H3
InChIKeyYRCGUZBJZNUQKM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.08
Rot. Bonds7

About [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol

[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 63696879) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID63696879
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCOCCN(CC)c1c(CO)c(C)nn1C
InChIInChI=1S/C12H23N3O2/c1-5-15(7-8-17-6-2)12-11(9-16)10(3)13-14(12)4/h16H,5-9H2,1-4H3
InChIKeyYRCGUZBJZNUQKM-UHFFFAOYSA-N
XLogP1.08
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 63697047
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine
CID 63691553
4-(aminomethyl)-N-ethyl-1,3-dimethyl-N-propylpyrazol-5-amine
CID 43268986
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
5-[2-ethoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 81056227
2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol
CID 113467892
[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol
CID 112661702
5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 82965850
[5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol
CID 43122128

Frequently Asked Questions

What is the IUPAC name of [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol (CID 63696879) is [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol is CCOCCN(CC)c1c(CO)c(C)nn1C.
What is the InChIKey of [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is YRCGUZBJZNUQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-15(7-8-17-6-2)12-11(9-16)10(3)13-14(12)4/h16H,5-9H2,1-4H3.
What are the key properties of [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol?
[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 241.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 63696879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).