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

C14H19N3O2S — CID 61487631

IUPAC2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid
SMILESCCCc1nc(Cn2nc(C)c(CC(=O)O)c2C)cs1
InChIInChI=1S/C14H19N3O2S/c1-4-5-13-15-11(8-20-13)7-17-10(3)12(6-14(18)19)9(2)16-17/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyOBJSPCRXSWPFPU-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.58
Rot. Bonds6

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

2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid (PubChem CID 61487631) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid
PubChem CID61487631
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid
SMILESCCCc1nc(Cn2nc(C)c(CC(=O)O)c2C)cs1
InChIInChI=1S/C14H19N3O2S/c1-4-5-13-15-11(8-20-13)7-17-10(3)12(6-14(18)19)9(2)16-17/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyOBJSPCRXSWPFPU-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.58
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]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid (CID 61487631) is 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid is CCCc1nc(Cn2nc(C)c(CC(=O)O)c2C)cs1.
What is the InChIKey of 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid?
The InChIKey is OBJSPCRXSWPFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-5-13-15-11(8-20-13)7-17-10(3)12(6-14(18)19)9(2)16-17/h8H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid?
2-[3,5-dimethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]acetic acid has a molecular weight of 293.39 g/mol, XLogP of 2.58, 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]acetic acid is sourced from PubChem (CID 61487631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).