3-methyl-4-nitroso-3,4-dihydropyrazol-5-one

C4H5N3O2 — CID 45092820

IUPAC3-methyl-4-nitroso-3,4-dihydropyrazol-5-one
SMILESCC1N=NC(=O)C1N=O
InChIInChI=1S/C4H5N3O2/c1-2-3(7-9)4(8)6-5-2/h2-3H,1H3
InChIKeyWGZDTSGMRXBPAC-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.50
Rot. Bonds1

About 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one

3-methyl-4-nitroso-3,4-dihydropyrazol-5-one (PubChem CID 45092820) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-methyl-4-nitroso-3,4-dihydropyrazol-5-one
PubChem CID45092820
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name3-methyl-4-nitroso-3,4-dihydropyrazol-5-one
SMILESCC1N=NC(=O)C1N=O
InChIInChI=1S/C4H5N3O2/c1-2-3(7-9)4(8)6-5-2/h2-3H,1H3
InChIKeyWGZDTSGMRXBPAC-UHFFFAOYSA-N
XLogP0.50
TPSA71.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(4S)-4,6-dimethyl-4H-pyridazin-3-one
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(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one
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3-methyl-4-phenyl-3H-1,2,4-triazol-5-one
CID 86255642
4,6-dimethyl-2-nitrosomorpholin-3-one
CID 54568604
4-iodopyrazole-3,5-dione
CID 164571594
(3R,4R)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one
CID 45092682
3-propyl-1,2-thiazol-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one?
The IUPAC name of 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one (CID 45092820) is 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one?
The canonical SMILES for 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one is CC1N=NC(=O)C1N=O.
What is the InChIKey of 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one?
The InChIKey is WGZDTSGMRXBPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c1-2-3(7-9)4(8)6-5-2/h2-3H,1H3.
What are the key properties of 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one?
3-methyl-4-nitroso-3,4-dihydropyrazol-5-one has a molecular weight of 127.10 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitroso-3,4-dihydropyrazol-5-one is sourced from PubChem (CID 45092820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).