3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine

C7H7N5O2S — CID 82878905

IUPAC3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCc1nn(-c2nccs2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N5O2S/c1-4-5(12(13)14)6(8)11(10-4)7-9-2-3-15-7/h2-3H,8H2,1H3
InChIKeyVZOOMLNJKUMMLT-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.13
Rot. Bonds2

About 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine

3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine (PubChem CID 82878905) has the molecular formula C7H7N5O2S and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
PubChem CID82878905
Molecular FormulaC7H7N5O2S
Molecular Weight225.23 g/mol
Exact Mass225.03
IUPAC Name3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCc1nn(-c2nccs2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N5O2S/c1-4-5(12(13)14)6(8)11(10-4)7-9-2-3-15-7/h2-3H,8H2,1H3
InChIKeyVZOOMLNJKUMMLT-UHFFFAOYSA-N
XLogP1.13
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880630
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]ethanone
CID 8024362
1-(5-bromo-2-pyridinyl)-3-methyl-4-nitropyrazol-5-amine
CID 65347634
1,3-dimethyl-4-nitro-N-(1,3-thiazol-2-ylmethyl)pyrazol-5-amine
CID 61283486
2-(1,3-thiazol-2-yl)pyrazol-3-amine
CID 82879868
3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976457
4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
CID 116647294
1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine
CID 82881128
4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880631
3-methyl-4-nitro-1-(thietan-3-yl)pyrazol-5-amine
CID 127017354
5-nitro-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80857004

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The IUPAC name of 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine (CID 82878905) is 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine is Cc1nn(-c2nccs2)c(N)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The InChIKey is VZOOMLNJKUMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S/c1-4-5(12(13)14)6(8)11(10-4)7-9-2-3-15-7/h2-3H,8H2,1H3.
What are the key properties of 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine has a molecular weight of 225.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 82878905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).