1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol

C11H19N3OS — CID 64813189

IUPAC1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol
SMILESCc1cc(SCC(O)(CN)C2CC2)n(C)n1
InChIInChI=1S/C11H19N3OS/c1-8-5-10(14(2)13-8)16-7-11(15,6-12)9-3-4-9/h5,9,15H,3-4,6-7,12H2,1-2H3
InChIKeyDPAGVTSPPHJPFT-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.92
Rot. Bonds5

About 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol

1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol (PubChem CID 64813189) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol
PubChem CID64813189
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol
SMILESCc1cc(SCC(O)(CN)C2CC2)n(C)n1
InChIInChI=1S/C11H19N3OS/c1-8-5-10(14(2)13-8)16-7-11(15,6-12)9-3-4-9/h5,9,15H,3-4,6-7,12H2,1-2H3
InChIKeyDPAGVTSPPHJPFT-UHFFFAOYSA-N
XLogP0.92
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol (CID 64813189) is 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol is Cc1cc(SCC(O)(CN)C2CC2)n(C)n1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol?
The InChIKey is DPAGVTSPPHJPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-5-10(14(2)13-8)16-7-11(15,6-12)9-3-4-9/h5,9,15H,3-4,6-7,12H2,1-2H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol?
1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 64813189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).