3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C12H14F3N3OS — CID 75499147

IUPAC3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCc1nc(Cn2cc(CCCO)c(C(F)(F)F)n2)cs1
InChIInChI=1S/C12H14F3N3OS/c1-8-16-10(7-20-8)6-18-5-9(3-2-4-19)11(17-18)12(13,14)15/h5,7,19H,2-4,6H2,1H3
InChIKeyGVQPSSLMRGAOTC-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.64
Rot. Bonds5

About 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 75499147) has the molecular formula C12H14F3N3OS and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID75499147
Molecular FormulaC12H14F3N3OS
Molecular Weight305.32 g/mol
Exact Mass305.08
IUPAC Name3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCc1nc(Cn2cc(CCCO)c(C(F)(F)F)n2)cs1
InChIInChI=1S/C12H14F3N3OS/c1-8-16-10(7-20-8)6-18-5-9(3-2-4-19)11(17-18)12(13,14)15/h5,7,19H,2-4,6H2,1H3
InChIKeyGVQPSSLMRGAOTC-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 75499147) is 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is Cc1nc(Cn2cc(CCCO)c(C(F)(F)F)n2)cs1.
What is the InChIKey of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is GVQPSSLMRGAOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3OS/c1-8-16-10(7-20-8)6-18-5-9(3-2-4-19)11(17-18)12(13,14)15/h5,7,19H,2-4,6H2,1H3.
What are the key properties of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 305.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 75499147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).