4-chloro-3-nitropyrazolo[1,5-a]pyrazine

C6H3ClN4O2 — CID 154809682

IUPAC4-chloro-3-nitropyrazolo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1cnn2ccnc(Cl)c12
InChIInChI=1S/C6H3ClN4O2/c7-6-5-4(11(12)13)3-9-10(5)2-1-8-6/h1-3H
InChIKeyVRRQFGOKAKDKJN-UHFFFAOYSA-N
MW198.57 g/mol
LogP1.29
Rot. Bonds1

About 4-chloro-3-nitropyrazolo[1,5-a]pyrazine

4-chloro-3-nitropyrazolo[1,5-a]pyrazine (PubChem CID 154809682) has the molecular formula C6H3ClN4O2 and a molecular weight of 198.57 g/mol. Its IUPAC name is 4-chloro-3-nitropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-chloro-3-nitropyrazolo[1,5-a]pyrazine
PubChem CID154809682
Molecular FormulaC6H3ClN4O2
Molecular Weight198.57 g/mol
Exact Mass197.99
IUPAC Name4-chloro-3-nitropyrazolo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1cnn2ccnc(Cl)c12
InChIInChI=1S/C6H3ClN4O2/c7-6-5-4(11(12)13)3-9-10(5)2-1-8-6/h1-3H
InChIKeyVRRQFGOKAKDKJN-UHFFFAOYSA-N
XLogP1.29
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.57
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-3-nitropyrazolo[1,5-a]pyrazine 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

4-Chloropyrazolo[1,5-a]pyrazine
CID 72213177
4-Chloro-6-methylpyrazolo[1,5-a]pyrazine
CID 137965858
4-Chloro-3-iodopyrazolo(1,5-a)pyrazine
CID 145913471
3-Bromo-4-chloropyrazolo[1,5-a]pyrazine
CID 132398777
4-Chloro-3-methylpyrazolo(1,5-a)pyrazine
CID 138991397
2,4-Dichloro-3-fluoropyrazolo[1,5-a]pyrazine
CID 163301766
4,6-Dichloro-3-fluoropyrazolo[1,5-a]pyrazine
CID 163302223
4-Chloro-6-(difluoromethyl)-2-nitropyrazolo[1,5-a]pyrazine
CID 178717686
4-Chloro-3-fluoro-pyrazolo[1,5-a]pyrazine
CID 169546199
5-Oxidopyrazolo[1,5-a]pyrazin-5-ium
CID 118978565
4,6-Dichloropyrazolo[1,5-a]pyrazine
CID 130339310
4-Chloro-7-iodopyrazolo[1,5-a]pyrazine
CID 155820924

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitropyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-chloro-3-nitropyrazolo[1,5-a]pyrazine (CID 154809682) is 4-chloro-3-nitropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-chloro-3-nitropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-chloro-3-nitropyrazolo[1,5-a]pyrazine is O=[N+]([O-])c1cnn2ccnc(Cl)c12.
What is the InChIKey of 4-chloro-3-nitropyrazolo[1,5-a]pyrazine?
The InChIKey is VRRQFGOKAKDKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O2/c7-6-5-4(11(12)13)3-9-10(5)2-1-8-6/h1-3H.
What are the key properties of 4-chloro-3-nitropyrazolo[1,5-a]pyrazine?
4-chloro-3-nitropyrazolo[1,5-a]pyrazine has a molecular weight of 198.57 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 154809682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).