7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H14N4OS — CID 137012092

IUPAC7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccsc1C1CCNc2c(C(N)=O)cnn21
InChIInChI=1S/C12H14N4OS/c1-7-3-5-18-10(7)9-2-4-14-12-8(11(13)17)6-15-16(9)12/h3,5-6,9,14H,2,4H2,1H3,(H2,13,17)
InChIKeyQIJLVOLKNZWCNA-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.76
Rot. Bonds2

About 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137012092) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137012092
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccsc1C1CCNc2c(C(N)=O)cnn21
InChIInChI=1S/C12H14N4OS/c1-7-3-5-18-10(7)9-2-4-14-12-8(11(13)17)6-15-16(9)12/h3,5-6,9,14H,2,4H2,1H3,(H2,13,17)
InChIKeyQIJLVOLKNZWCNA-UHFFFAOYSA-N
XLogP1.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137012092) is 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccsc1C1CCNc2c(C(N)=O)cnn21.
What is the InChIKey of 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QIJLVOLKNZWCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-3-5-18-10(7)9-2-4-14-12-8(11(13)17)6-15-16(9)12/h3,5-6,9,14H,2,4H2,1H3,(H2,13,17).
What are the key properties of 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137012092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).