N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H17N5O2S — CID 122540803

IUPACN-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cnn3cccnc23)c(C(N)=O)s1
InChIInChI=1S/C16H17N5O2S/c1-16(2,3)11-7-10(12(24-11)13(17)22)20-15(23)9-8-19-21-6-4-5-18-14(9)21/h4-8H,1-3H3,(H2,17,22)(H,20,23)
InChIKeyHHAIGVLEWUCEQW-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.44
Rot. Bonds3

About N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122540803) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122540803
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cnn3cccnc23)c(C(N)=O)s1
InChIInChI=1S/C16H17N5O2S/c1-16(2,3)11-7-10(12(24-11)13(17)22)20-15(23)9-8-19-21-6-4-5-18-14(9)21/h4-8H,1-3H3,(H2,17,22)(H,20,23)
InChIKeyHHAIGVLEWUCEQW-UHFFFAOYSA-N
XLogP2.44
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122540803) is N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(C)c1cc(NC(=O)c2cnn3cccnc23)c(C(N)=O)s1.
What is the InChIKey of N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HHAIGVLEWUCEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-16(2,3)11-7-10(12(24-11)13(17)22)20-15(23)9-8-19-21-6-4-5-18-14(9)21/h4-8H,1-3H3,(H2,17,22)(H,20,23).
What are the key properties of N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-carbamoylthiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122540803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).