3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol

C11H21N3OS — CID 115722526

IUPAC3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC(C)c1cnn(C)c1
InChIInChI=1S/C11H21N3OS/c1-8(10-5-12-14(3)6-10)13-9(2)11(7-15)16-4/h5-6,8-9,11,13,15H,7H2,1-4H3
InChIKeyUHMHEVGHGVIALC-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.18
Rot. Bonds6

About 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol

3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol (PubChem CID 115722526) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
PubChem CID115722526
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC(C)c1cnn(C)c1
InChIInChI=1S/C11H21N3OS/c1-8(10-5-12-14(3)6-10)13-9(2)11(7-15)16-4/h5-6,8-9,11,13,15H,7H2,1-4H3
InChIKeyUHMHEVGHGVIALC-UHFFFAOYSA-N
XLogP1.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylpyrazol-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 111440339
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 103861135
3-[1-(4-bromophenyl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 111755654
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103785111
4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol
CID 115722605
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
1-(1-methylpyrazol-4-yl)ethylthiourea
CID 130520619
2-methylsulfanyl-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butan-1-ol
CID 103785088
2-methylsulfanyl-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol
CID 115722509
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115896723

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol (CID 115722526) is 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NC(C)c1cnn(C)c1.
What is the InChIKey of 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol?
The InChIKey is UHMHEVGHGVIALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8(10-5-12-14(3)6-10)13-9(2)11(7-15)16-4/h5-6,8-9,11,13,15H,7H2,1-4H3.
What are the key properties of 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol?
3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol has a molecular weight of 243.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 115722526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).