4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol

C14H19N3OS — CID 55044477

IUPAC4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol
SMILESCCNc1c(CSc2ccc(O)cc2)c(C)nn1C
InChIInChI=1S/C14H19N3OS/c1-4-15-14-13(10(2)16-17(14)3)9-19-12-7-5-11(18)6-8-12/h5-8,15,18H,4,9H2,1-3H3
InChIKeyVQZPSJSPNUOCHR-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.16
Rot. Bonds5

About 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol

4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol (PubChem CID 55044477) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol
PubChem CID55044477
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol
SMILESCCNc1c(CSc2ccc(O)cc2)c(C)nn1C
InChIInChI=1S/C14H19N3OS/c1-4-15-14-13(10(2)16-17(14)3)9-19-12-7-5-11(18)6-8-12/h5-8,15,18H,4,9H2,1-3H3
InChIKeyVQZPSJSPNUOCHR-UHFFFAOYSA-N
XLogP3.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol?
The IUPAC name of 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol (CID 55044477) is 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol is CCNc1c(CSc2ccc(O)cc2)c(C)nn1C.
What is the InChIKey of 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol?
The InChIKey is VQZPSJSPNUOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-15-14-13(10(2)16-17(14)3)9-19-12-7-5-11(18)6-8-12/h5-8,15,18H,4,9H2,1-3H3.
What are the key properties of 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol?
4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol has a molecular weight of 277.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol is sourced from PubChem (CID 55044477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).