6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine

C10H13ClN4 — CID 136921557

IUPAC6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine
SMILESClC1=NCc2cnn(C3CCCC3)c2N1
InChIInChI=1S/C10H13ClN4/c11-10-12-5-7-6-13-15(9(7)14-10)8-3-1-2-4-8/h6,8H,1-5H2,(H,12,14)
InChIKeyNTHDWADOVZRSFB-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.52
Rot. Bonds1

About 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine

6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine (PubChem CID 136921557) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine
PubChem CID136921557
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine
SMILESClC1=NCc2cnn(C3CCCC3)c2N1
InChIInChI=1S/C10H13ClN4/c11-10-12-5-7-6-13-15(9(7)14-10)8-3-1-2-4-8/h6,8H,1-5H2,(H,12,14)
InChIKeyNTHDWADOVZRSFB-UHFFFAOYSA-N
XLogP2.52
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-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

Related Compounds

1-cyclopentyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105445512
1-cyclohexyl-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazole
CID 129024686
4,5-dichloro-2-cyclooctylpyridazin-3-one;methane
CID 173110964
4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride
CID 50896637
4,5-dibromo-1-cyclopentylpyrazole
CID 115053117
1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412915
4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one
CID 22358118
5-chloro-1-cycloheptylpyrazole
CID 83241860
1-(5-chloro-1-cycloheptylpyrazol-4-yl)ethanone
CID 115043989
2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine
CID 115028565
4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole
CID 66438384
4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole
CID 66438608

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine (CID 136921557) is 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine is ClC1=NCc2cnn(C3CCCC3)c2N1.
What is the InChIKey of 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine?
The InChIKey is NTHDWADOVZRSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c11-10-12-5-7-6-13-15(9(7)14-10)8-3-1-2-4-8/h6,8H,1-5H2,(H,12,14).
What are the key properties of 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine?
6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine has a molecular weight of 224.69 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopentyl-4,7-dihydropyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 136921557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).