7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C16H15N5O2S — CID 84595221

IUPAC7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1ccnc2c(C(N)=O)cnn12
InChIInChI=1S/C16H15N5O2S/c1-2-7-20(10-11-4-3-8-24-11)16(23)13-5-6-18-15-12(14(17)22)9-19-21(13)15/h2-6,8-9H,1,7,10H2,(H2,17,22)
InChIKeyRSGXYRYIQOMHQA-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.72
Rot. Bonds6

About 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 84595221) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID84595221
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1ccnc2c(C(N)=O)cnn12
InChIInChI=1S/C16H15N5O2S/c1-2-7-20(10-11-4-3-8-24-11)16(23)13-5-6-18-15-12(14(17)22)9-19-21(13)15/h2-6,8-9H,1,7,10H2,(H2,17,22)
InChIKeyRSGXYRYIQOMHQA-UHFFFAOYSA-N
XLogP1.72
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43300968
(3S)-2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999567
2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 42886413
1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55500881
2-(2-aminophenyl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43248896
4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55452972
1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119689941
6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150928
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766
2-(3-aminophenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 61035595

Frequently Asked Questions

What is the IUPAC name of 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 84595221) is 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is C=CCN(Cc1cccs1)C(=O)c1ccnc2c(C(N)=O)cnn12.
What is the InChIKey of 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is RSGXYRYIQOMHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-2-7-20(10-11-4-3-8-24-11)16(23)13-5-6-18-15-12(14(17)22)9-19-21(13)15/h2-6,8-9H,1,7,10H2,(H2,17,22).
What are the key properties of 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 341.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 84595221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).