5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide

C13H14F2N4OS — CID 68850643

IUPAC5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)NCc2cscn2)c1C1CC1
InChIInChI=1S/C13H14F2N4OS/c1-19-11(7-2-3-7)9(10(18-19)12(14)15)13(20)16-4-8-5-21-6-17-8/h5-7,12H,2-4H2,1H3,(H,16,20)
InChIKeyJSMHOJFWMZBYIC-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.62
Rot. Bonds5

About 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide

5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 68850643) has the molecular formula C13H14F2N4OS and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID68850643
Molecular FormulaC13H14F2N4OS
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)NCc2cscn2)c1C1CC1
InChIInChI=1S/C13H14F2N4OS/c1-19-11(7-2-3-7)9(10(18-19)12(14)15)13(20)16-4-8-5-21-6-17-8/h5-7,12H,2-4H2,1H3,(H,16,20)
InChIKeyJSMHOJFWMZBYIC-UHFFFAOYSA-N
XLogP2.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide (CID 68850643) is 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(=O)NCc2cscn2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is JSMHOJFWMZBYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4OS/c1-19-11(7-2-3-7)9(10(18-19)12(14)15)13(20)16-4-8-5-21-6-17-8/h5-7,12H,2-4H2,1H3,(H,16,20).
What are the key properties of 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 68850643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).