7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

C10H8ClN5 — CID 171509239

IUPAC7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCn1cc(-c2cc3nccc(Cl)n3n2)cn1
InChIInChI=1S/C10H8ClN5/c1-15-6-7(5-13-15)8-4-10-12-3-2-9(11)16(10)14-8/h2-6H,1H3
InChIKeyGTEBZLUWHKDXTA-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.78
Rot. Bonds1

About 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 171509239) has the molecular formula C10H8ClN5 and a molecular weight of 233.66 g/mol. Its IUPAC name is 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID171509239
Molecular FormulaC10H8ClN5
Molecular Weight233.66 g/mol
Exact Mass233.05
IUPAC Name7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCn1cc(-c2cc3nccc(Cl)n3n2)cn1
InChIInChI=1S/C10H8ClN5/c1-15-6-7(5-13-15)8-4-10-12-3-2-9(11)16(10)14-8/h2-6H,1H3
InChIKeyGTEBZLUWHKDXTA-UHFFFAOYSA-N
XLogP1.78
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (CID 171509239) is 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is Cn1cc(-c2cc3nccc(Cl)n3n2)cn1.
What is the InChIKey of 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is GTEBZLUWHKDXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5/c1-15-6-7(5-13-15)8-4-10-12-3-2-9(11)16(10)14-8/h2-6H,1H3.
What are the key properties of 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 233.66 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171509239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).