7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine

C11H11ClN6O — CID 90103823

IUPAC7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine
SMILESCOCCn1cc(-c2nc(Cl)c3[nH]ncc3n2)cn1
InChIInChI=1S/C11H11ClN6O/c1-19-3-2-18-6-7(4-14-18)11-15-8-5-13-17-9(8)10(12)16-11/h4-6H,2-3H2,1H3,(H,13,17)
InChIKeyUVNHPCOILVTVGP-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.52
Rot. Bonds4

About 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine

7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine (PubChem CID 90103823) has the molecular formula C11H11ClN6O and a molecular weight of 278.70 g/mol. Its IUPAC name is 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine
PubChem CID90103823
Molecular FormulaC11H11ClN6O
Molecular Weight278.70 g/mol
Exact Mass278.07
IUPAC Name7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine
SMILESCOCCn1cc(-c2nc(Cl)c3[nH]ncc3n2)cn1
InChIInChI=1S/C11H11ClN6O/c1-19-3-2-18-6-7(4-14-18)11-15-8-5-13-17-9(8)10(12)16-11/h4-6H,2-3H2,1H3,(H,13,17)
InChIKeyUVNHPCOILVTVGP-UHFFFAOYSA-N
XLogP1.52
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]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-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine (CID 90103823) is 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine is COCCn1cc(-c2nc(Cl)c3[nH]ncc3n2)cn1.
What is the InChIKey of 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine?
The InChIKey is UVNHPCOILVTVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O/c1-19-3-2-18-6-7(4-14-18)11-15-8-5-13-17-9(8)10(12)16-11/h4-6H,2-3H2,1H3,(H,13,17).
What are the key properties of 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine?
7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine has a molecular weight of 278.70 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 90103823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).