2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C14H15BrF2N4OS — CID 19524138

IUPAC2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)sc1C
InChIInChI=1S/C14H15BrF2N4OS/c1-6-7(2)23-14(18-6)19-9(22)5-21-12(8-3-4-8)10(15)11(20-21)13(16)17/h8,13H,3-5H2,1-2H3,(H,18,19,22)
InChIKeyPVCXFJBNKCRECX-UHFFFAOYSA-N
MW405.27 g/mol
LogP4.17
Rot. Bonds5

About 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 19524138) has the molecular formula C14H15BrF2N4OS and a molecular weight of 405.27 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID19524138
Molecular FormulaC14H15BrF2N4OS
Molecular Weight405.27 g/mol
Exact Mass404.01
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)sc1C
InChIInChI=1S/C14H15BrF2N4OS/c1-6-7(2)23-14(18-6)19-9(22)5-21-12(8-3-4-8)10(15)11(20-21)13(16)17/h8,13H,3-5H2,1-2H3,(H,18,19,22)
InChIKeyPVCXFJBNKCRECX-UHFFFAOYSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 19524138) is 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)sc1C.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PVCXFJBNKCRECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N4OS/c1-6-7(2)23-14(18-6)19-9(22)5-21-12(8-3-4-8)10(15)11(20-21)13(16)17/h8,13H,3-5H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 405.27 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19524138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).