2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol

C14H25N3OS — CID 64806530

IUPAC2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1cc(SCC(CO)(NC(C)C)C2CC2)n(C)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)15-14(8-18,12-5-6-12)9-19-13-7-11(3)16-17(13)4/h7,10,12,15,18H,5-6,8-9H2,1-4H3
InChIKeyCRQAMTHVNDVBFO-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.96
Rot. Bonds7

About 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64806530) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64806530
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1cc(SCC(CO)(NC(C)C)C2CC2)n(C)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)15-14(8-18,12-5-6-12)9-19-13-7-11(3)16-17(13)4/h7,10,12,15,18H,5-6,8-9H2,1-4H3
InChIKeyCRQAMTHVNDVBFO-UHFFFAOYSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol (CID 64806530) is 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol is Cc1cc(SCC(CO)(NC(C)C)C2CC2)n(C)n1.
What is the InChIKey of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is CRQAMTHVNDVBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)15-14(8-18,12-5-6-12)9-19-13-7-11(3)16-17(13)4/h7,10,12,15,18H,5-6,8-9H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64806530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).