5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine

C7H4ClN5O2 — CID 71974226

IUPAC5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine
SMILESO=[N+]([O-])c1cnn(-c2ncc(Cl)cn2)c1
InChIInChI=1S/C7H4ClN5O2/c8-5-1-9-7(10-2-5)12-4-6(3-11-12)13(14)15/h1-4H
InChIKeyNAPBTEQMSQPVFD-UHFFFAOYSA-N
MW225.60 g/mol
LogP1.22
Rot. Bonds2

About 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine

5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine (PubChem CID 71974226) has the molecular formula C7H4ClN5O2 and a molecular weight of 225.60 g/mol. Its IUPAC name is 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine
PubChem CID71974226
Molecular FormulaC7H4ClN5O2
Molecular Weight225.60 g/mol
Exact Mass225.01
IUPAC Name5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine
SMILESO=[N+]([O-])c1cnn(-c2ncc(Cl)cn2)c1
InChIInChI=1S/C7H4ClN5O2/c8-5-1-9-7(10-2-5)12-4-6(3-11-12)13(14)15/h1-4H
InChIKeyNAPBTEQMSQPVFD-UHFFFAOYSA-N
XLogP1.22
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine?
The IUPAC name of 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine (CID 71974226) is 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine?
The canonical SMILES for 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine is O=[N+]([O-])c1cnn(-c2ncc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine?
The InChIKey is NAPBTEQMSQPVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN5O2/c8-5-1-9-7(10-2-5)12-4-6(3-11-12)13(14)15/h1-4H.
What are the key properties of 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine?
5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine has a molecular weight of 225.60 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine is sourced from PubChem (CID 71974226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).