2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol

C14H21N3OS — CID 75484879

IUPAC2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol
SMILESCCCc1nc(Cn2nc(C)c(CCO)c2C)cs1
InChIInChI=1S/C14H21N3OS/c1-4-5-14-15-12(9-19-14)8-17-11(3)13(6-7-18)10(2)16-17/h9,18H,4-8H2,1-3H3
InChIKeyBBIBPPVSCXGUBC-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.49
Rot. Bonds6

About 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol

2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol (PubChem CID 75484879) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol
PubChem CID75484879
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol
SMILESCCCc1nc(Cn2nc(C)c(CCO)c2C)cs1
InChIInChI=1S/C14H21N3OS/c1-4-5-14-15-12(9-19-14)8-17-11(3)13(6-7-18)10(2)16-17/h9,18H,4-8H2,1-3H3
InChIKeyBBIBPPVSCXGUBC-UHFFFAOYSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol (CID 75484879) is 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol is CCCc1nc(Cn2nc(C)c(CCO)c2C)cs1.
What is the InChIKey of 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is BBIBPPVSCXGUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-5-14-15-12(9-19-14)8-17-11(3)13(6-7-18)10(2)16-17/h9,18H,4-8H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol?
2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol has a molecular weight of 279.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 75484879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).