5-chloro-4-nitroso-1H-pyrazole

C3H2ClN3O — CID 138644966

IUPAC5-chloro-4-nitroso-1H-pyrazole
SMILESO=Nc1cn[nH]c1Cl
InChIInChI=1S/C3H2ClN3O/c4-3-2(7-8)1-5-6-3/h1H,(H,5,6)
InChIKeyKRKUWUXMABTSMU-UHFFFAOYSA-N
MW131.52 g/mol
LogP1.46
Rot. Bonds1

About 5-chloro-4-nitroso-1H-pyrazole

5-chloro-4-nitroso-1H-pyrazole (PubChem CID 138644966) has the molecular formula C3H2ClN3O and a molecular weight of 131.52 g/mol. Its IUPAC name is 5-chloro-4-nitroso-1H-pyrazole.

Molecular Properties

Compound Name5-chloro-4-nitroso-1H-pyrazole
PubChem CID138644966
Molecular FormulaC3H2ClN3O
Molecular Weight131.52 g/mol
Exact Mass130.99
IUPAC Name5-chloro-4-nitroso-1H-pyrazole
SMILESO=Nc1cn[nH]c1Cl
InChIInChI=1S/C3H2ClN3O/c4-3-2(7-8)1-5-6-3/h1H,(H,5,6)
InChIKeyKRKUWUXMABTSMU-UHFFFAOYSA-N
XLogP1.46
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.52
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-nitro-1H-pyrazole
CID 16376
3-Chloro-1H-pyrazol-4-amine--hydrogen chloride (1/1)
CID 114019
3-Chloro-4-nitro-1H-pyrazole
CID 18769507
3-chloro-1H-pyrazol-4-amine
CID 114020
3-fluoro-4-nitro-1H-pyrazole
CID 138112739
4-Nitrosopyrazole
CID 20481516
3-Iodo-4-nitro-1H-pyrazole
CID 57506960
5-fluoro-4-nitroso-1H-pyrazol-2-ium
CID 176791243
5-fluoro-4-nitroso-1H-pyrazole
CID 176791244
4-nitroso-1H-pyrazol-2-ium
CID 136124489
4-nitro-1H-pyrazole;hydrochloride
CID 153322184
5-chloro-1H-pyrazol-4-amine;methane
CID 158337379

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitroso-1H-pyrazole?
The IUPAC name of 5-chloro-4-nitroso-1H-pyrazole (CID 138644966) is 5-chloro-4-nitroso-1H-pyrazole.
What is the SMILES notation for 5-chloro-4-nitroso-1H-pyrazole?
The canonical SMILES for 5-chloro-4-nitroso-1H-pyrazole is O=Nc1cn[nH]c1Cl.
What is the InChIKey of 5-chloro-4-nitroso-1H-pyrazole?
The InChIKey is KRKUWUXMABTSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClN3O/c4-3-2(7-8)1-5-6-3/h1H,(H,5,6).
What are the key properties of 5-chloro-4-nitroso-1H-pyrazole?
5-chloro-4-nitroso-1H-pyrazole has a molecular weight of 131.52 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitroso-1H-pyrazole is sourced from PubChem (CID 138644966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).