1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol

C11H21N3OS — CID 115476348

IUPAC1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol
SMILESCC(C)CNCC(O)CSc1cnn(C)c1
InChIInChI=1S/C11H21N3OS/c1-9(2)4-12-5-10(15)8-16-11-6-13-14(3)7-11/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyDQUQGLSHGIZBBI-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.12
Rot. Bonds7

About 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol

1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol (PubChem CID 115476348) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol
PubChem CID115476348
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol
SMILESCC(C)CNCC(O)CSc1cnn(C)c1
InChIInChI=1S/C11H21N3OS/c1-9(2)4-12-5-10(15)8-16-11-6-13-14(3)7-11/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyDQUQGLSHGIZBBI-UHFFFAOYSA-N
XLogP1.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol
CID 61385188
3-hydroxy-4-(1-methylpyrazol-4-yl)sulfanylbutanoic acid
CID 82778475
1-(4-fluorophenyl)sulfanyl-3-(2-methylpropylamino)propan-2-ol
CID 113317842
1-(3,4-dichlorophenyl)sulfanyl-3-(2-methylpropylamino)propan-2-ol
CID 113317896
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
4-[2-(bromomethyl)butylsulfanyl]-1-methylpyrazole
CID 65000653
1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755786
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 79430703
N-[2-(1-methylpyrazol-4-yl)sulfanylpropyl]butan-1-amine
CID 62582315
3,3,3-trifluoro-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]propanoic acid
CID 80997384
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
1-(4-bromophenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008240

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol (CID 115476348) is 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol is CC(C)CNCC(O)CSc1cnn(C)c1.
What is the InChIKey of 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol?
The InChIKey is DQUQGLSHGIZBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(2)4-12-5-10(15)8-16-11-6-13-14(3)7-11/h6-7,9-10,12,15H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol?
1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol has a molecular weight of 243.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 115476348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).