7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine

C16H15N5S — CID 137228930

IUPAC7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(CCc2cn[nH]c2)Nc2cc(-c3cccs3)nn21
InChIInChI=1S/C16H15N5S/c1-11-7-13(5-4-12-9-17-18-10-12)19-16-8-14(20-21(11)16)15-3-2-6-22-15/h2-3,6-10,19H,1,4-5H2,(H,17,18)
InChIKeyWQKGEYUZOQUXEL-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.75
Rot. Bonds4

About 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine

7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine (PubChem CID 137228930) has the molecular formula C16H15N5S and a molecular weight of 309.40 g/mol. Its IUPAC name is 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine
PubChem CID137228930
Molecular FormulaC16H15N5S
Molecular Weight309.40 g/mol
Exact Mass309.10
IUPAC Name7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(CCc2cn[nH]c2)Nc2cc(-c3cccs3)nn21
InChIInChI=1S/C16H15N5S/c1-11-7-13(5-4-12-9-17-18-10-12)19-16-8-14(20-21(11)16)15-3-2-6-22-15/h2-3,6-10,19H,1,4-5H2,(H,17,18)
InChIKeyWQKGEYUZOQUXEL-UHFFFAOYSA-N
XLogP3.75
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine (CID 137228930) is 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine is C=C1C=C(CCc2cn[nH]c2)Nc2cc(-c3cccs3)nn21.
What is the InChIKey of 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is WQKGEYUZOQUXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S/c1-11-7-13(5-4-12-9-17-18-10-12)19-16-8-14(20-21(11)16)15-3-2-6-22-15/h2-3,6-10,19H,1,4-5H2,(H,17,18).
What are the key properties of 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine?
7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 309.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-5-[2-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137228930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).