2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol

C11H21N3O2 — CID 115925988

IUPAC2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol
SMILESCOC(C)C(C)Nc1cc(C)nn1CCO
InChIInChI=1S/C11H21N3O2/c1-8-7-11(14(13-8)5-6-15)12-9(2)10(3)16-4/h7,9-10,12,15H,5-6H2,1-4H3
InChIKeyXHFIMSRNMBPMNO-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.02
Rot. Bonds6

About 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol

2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol (PubChem CID 115925988) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol
PubChem CID115925988
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol
SMILESCOC(C)C(C)Nc1cc(C)nn1CCO
InChIInChI=1S/C11H21N3O2/c1-8-7-11(14(13-8)5-6-15)12-9(2)10(3)16-4/h7,9-10,12,15H,5-6H2,1-4H3
InChIKeyXHFIMSRNMBPMNO-UHFFFAOYSA-N
XLogP1.02
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol
CID 115925989
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine
CID 176584834
2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol
CID 115653189
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
CID 110482110
N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-3-amine
CID 115922045
N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
CID 104955905
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 110482309
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol (CID 115925988) is 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol is COC(C)C(C)Nc1cc(C)nn1CCO.
What is the InChIKey of 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol?
The InChIKey is XHFIMSRNMBPMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-7-11(14(13-8)5-6-15)12-9(2)10(3)16-4/h7,9-10,12,15H,5-6H2,1-4H3.
What are the key properties of 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol?
2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol has a molecular weight of 227.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 115925988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).