2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol

C11H21N3O2 — CID 115896723

IUPAC2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCOCCC(C)NC(CO)c1cnn(C)c1
InChIInChI=1S/C11H21N3O2/c1-9(4-5-16-3)13-11(8-15)10-6-12-14(2)7-10/h6-7,9,11,13,15H,4-5,8H2,1-3H3
InChIKeyVJNSNBRLGWSXEP-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.47
Rot. Bonds7

About 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol

2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115896723) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID115896723
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCOCCC(C)NC(CO)c1cnn(C)c1
InChIInChI=1S/C11H21N3O2/c1-9(4-5-16-3)13-11(8-15)10-6-12-14(2)7-10/h6-7,9,11,13,15H,4-5,8H2,1-3H3
InChIKeyVJNSNBRLGWSXEP-UHFFFAOYSA-N
XLogP0.47
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol
CID 115722605
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide
CID 115867794
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 115722526
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
2-(4-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61049265
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol (CID 115896723) is 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol is COCCC(C)NC(CO)c1cnn(C)c1.
What is the InChIKey of 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is VJNSNBRLGWSXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(4-5-16-3)13-11(8-15)10-6-12-14(2)7-10/h6-7,9,11,13,15H,4-5,8H2,1-3H3.
What are the key properties of 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol?
2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 227.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115896723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).