N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide

C15H19FN4O2S — CID 131689572

IUPACN-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide
SMILESCn1nc(CNC(=O)CCF)c2cc(C(=O)NC3CCC3)sc21
InChIInChI=1S/C15H19FN4O2S/c1-20-15-10(11(19-20)8-17-13(21)5-6-16)7-12(23-15)14(22)18-9-3-2-4-9/h7,9H,2-6,8H2,1H3,(H,17,21)(H,18,22)
InChIKeyYCAVGBBFMUSCJE-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.89
Rot. Bonds6

About N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide

N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 131689572) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide
PubChem CID131689572
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC NameN-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide
SMILESCn1nc(CNC(=O)CCF)c2cc(C(=O)NC3CCC3)sc21
InChIInChI=1S/C15H19FN4O2S/c1-20-15-10(11(19-20)8-17-13(21)5-6-16)7-12(23-15)14(22)18-9-3-2-4-9/h7,9H,2-6,8H2,1H3,(H,17,21)(H,18,22)
InChIKeyYCAVGBBFMUSCJE-UHFFFAOYSA-N
XLogP1.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide (CID 131689572) is N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide is Cn1nc(CNC(=O)CCF)c2cc(C(=O)NC3CCC3)sc21.
What is the InChIKey of N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is YCAVGBBFMUSCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-20-15-10(11(19-20)8-17-13(21)5-6-16)7-12(23-15)14(22)18-9-3-2-4-9/h7,9H,2-6,8H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide?
N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 131689572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).