7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C13H10ClN3S — CID 114514718

IUPAC7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CC2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C13H10ClN3S/c14-12-6-9(8-3-4-8)15-13-7-10(16-17(12)13)11-2-1-5-18-11/h1-2,5-8H,3-4H2
InChIKeyAXLIICCTEDZRBV-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.99
Rot. Bonds2

About 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 114514718) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID114514718
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CC2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C13H10ClN3S/c14-12-6-9(8-3-4-8)15-13-7-10(16-17(12)13)11-2-1-5-18-11/h1-2,5-8H,3-4H2
InChIKeyAXLIICCTEDZRBV-UHFFFAOYSA-N
XLogP3.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 114514726
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 24865424
(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine
CID 82270494
5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 51087563
3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17025911
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413
(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103316839
3-bromo-7-chloro-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 21035736
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921
3-[(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 3229955

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 114514718) is 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Clc1cc(C2CC2)nc2cc(-c3cccs3)nn12.
What is the InChIKey of 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AXLIICCTEDZRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-12-6-9(8-3-4-8)15-13-7-10(16-17(12)13)11-2-1-5-18-11/h1-2,5-8H,3-4H2.
What are the key properties of 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 275.76 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 114514718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).