1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide

C13H16F2N4OS — CID 131906772

IUPAC1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)c2ccn(C(F)F)n2)s1
InChIInChI=1S/C13H16F2N4OS/c1-3-4-11-17-8(2)10(21-11)7-16-12(20)9-5-6-19(18-9)13(14)15/h5-6,13H,3-4,7H2,1-2H3,(H,16,20)
InChIKeyFBBLVWDUACCNQH-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.93
Rot. Bonds6

About 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 131906772) has the molecular formula C13H16F2N4OS and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID131906772
Molecular FormulaC13H16F2N4OS
Molecular Weight314.36 g/mol
Exact Mass314.10
IUPAC Name1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)c2ccn(C(F)F)n2)s1
InChIInChI=1S/C13H16F2N4OS/c1-3-4-11-17-8(2)10(21-11)7-16-12(20)9-5-6-19(18-9)13(14)15/h5-6,13H,3-4,7H2,1-2H3,(H,16,20)
InChIKeyFBBLVWDUACCNQH-UHFFFAOYSA-N
XLogP2.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide (CID 131906772) is 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide is CCCc1nc(C)c(CNC(=O)c2ccn(C(F)F)n2)s1.
What is the InChIKey of 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is FBBLVWDUACCNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4OS/c1-3-4-11-17-8(2)10(21-11)7-16-12(20)9-5-6-19(18-9)13(14)15/h5-6,13H,3-4,7H2,1-2H3,(H,16,20).
What are the key properties of 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131906772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).