[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol

C14H25N3OS — CID 79645806

IUPAC[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCc1cc(SC2CCC(CO)(NC(C)C)C2)n(C)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)15-14(9-18)6-5-12(8-14)19-13-7-11(3)16-17(13)4/h7,10,12,15,18H,5-6,8-9H2,1-4H3
InChIKeyNJXDUOCZESVANT-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.10
Rot. Bonds5

About [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol

[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79645806) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79645806
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCc1cc(SC2CCC(CO)(NC(C)C)C2)n(C)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)15-14(9-18)6-5-12(8-14)19-13-7-11(3)16-17(13)4/h7,10,12,15,18H,5-6,8-9H2,1-4H3
InChIKeyNJXDUOCZESVANT-UHFFFAOYSA-N
XLogP2.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79645806) is [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol is Cc1cc(SC2CCC(CO)(NC(C)C)C2)n(C)n1.
What is the InChIKey of [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is NJXDUOCZESVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)15-14(9-18)6-5-12(8-14)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 [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 283.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79645806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).