7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C14H17N3S — CID 136839329

IUPAC7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1(C2CCNc3cc(-c4cccs4)nn32)CC1
InChIInChI=1S/C14H17N3S/c1-14(5-6-14)12-4-7-15-13-9-10(16-17(12)13)11-3-2-8-18-11/h2-3,8-9,12,15H,4-7H2,1H3
InChIKeyIFGBCXDEWOENFO-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.77
Rot. Bonds2

About 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136839329) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136839329
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1(C2CCNc3cc(-c4cccs4)nn32)CC1
InChIInChI=1S/C14H17N3S/c1-14(5-6-14)12-4-7-15-13-9-10(16-17(12)13)11-3-2-8-18-11/h2-3,8-9,12,15H,4-7H2,1H3
InChIKeyIFGBCXDEWOENFO-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136839329) is 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC1(C2CCNc3cc(-c4cccs4)nn32)CC1.
What is the InChIKey of 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is IFGBCXDEWOENFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-14(5-6-14)12-4-7-15-13-9-10(16-17(12)13)11-3-2-8-18-11/h2-3,8-9,12,15H,4-7H2,1H3.
What are the key properties of 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 259.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylcyclopropyl)-2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).