5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide

C15H16N4OS — CID 138017628

IUPAC5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide
SMILESCC(C)Cc1ccc(C(=O)Nc2ccn3nccc3n2)s1
InChIInChI=1S/C15H16N4OS/c1-10(2)9-11-3-4-12(21-11)15(20)18-13-6-8-19-14(17-13)5-7-16-19/h3-8,10H,9H2,1-2H3,(H,17,18,20)
InChIKeyKIJXLWDLZIQFKO-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.24
Rot. Bonds4

About 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide

5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide (PubChem CID 138017628) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide
PubChem CID138017628
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide
SMILESCC(C)Cc1ccc(C(=O)Nc2ccn3nccc3n2)s1
InChIInChI=1S/C15H16N4OS/c1-10(2)9-11-3-4-12(21-11)15(20)18-13-6-8-19-14(17-13)5-7-16-19/h3-8,10H,9H2,1-2H3,(H,17,18,20)
InChIKeyKIJXLWDLZIQFKO-UHFFFAOYSA-N
XLogP3.24
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide (CID 138017628) is 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide is CC(C)Cc1ccc(C(=O)Nc2ccn3nccc3n2)s1.
What is the InChIKey of 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide?
The InChIKey is KIJXLWDLZIQFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10(2)9-11-3-4-12(21-11)15(20)18-13-6-8-19-14(17-13)5-7-16-19/h3-8,10H,9H2,1-2H3,(H,17,18,20).
What are the key properties of 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide?
5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-pyrazolo[1,5-a]pyrimidin-5-ylthiophene-2-carboxamide is sourced from PubChem (CID 138017628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).