N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

C17H16N6OS — CID 68777548

IUPACN-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1
InChIInChI=1S/C17H16N6OS/c1-3-18-17(24)15-4-11(10-25-15)14-7-21-23-9-12(5-19-16(14)23)13-6-20-22(2)8-13/h4-10H,3H2,1-2H3,(H,18,24)
InChIKeyVMVRWXBRGRRERO-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.61
Rot. Bonds4

About N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (PubChem CID 68777548) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
PubChem CID68777548
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC NameN-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1
InChIInChI=1S/C17H16N6OS/c1-3-18-17(24)15-4-11(10-25-15)14-7-21-23-9-12(5-19-16(14)23)13-6-20-22(2)8-13/h4-10H,3H2,1-2H3,(H,18,24)
InChIKeyVMVRWXBRGRRERO-UHFFFAOYSA-N
XLogP2.61
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (CID 68777548) is N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is CCNC(=O)c1cc(-c2cnn3cc(-c4cnn(C)c4)cnc23)cs1.
What is the InChIKey of N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The InChIKey is VMVRWXBRGRRERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-3-18-17(24)15-4-11(10-25-15)14-7-21-23-9-12(5-19-16(14)23)13-6-20-22(2)8-13/h4-10H,3H2,1-2H3,(H,18,24).
What are the key properties of N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 68777548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).