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

C9H11N5O2S — CID 82880630

IUPAC4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCC(C)c1nn(-c2nccs2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O2S/c1-5(2)6-7(14(15)16)8(10)13(12-6)9-11-3-4-17-9/h3-5H,10H2,1-2H3
InChIKeyBDLLUSXKUAEGEE-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.94
Rot. Bonds3

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

4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine (PubChem CID 82880630) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine
PubChem CID82880630
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCC(C)c1nn(-c2nccs2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O2S/c1-5(2)6-7(14(15)16)8(10)13(12-6)9-11-3-4-17-9/h3-5H,10H2,1-2H3
InChIKeyBDLLUSXKUAEGEE-UHFFFAOYSA-N
XLogP1.94
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 51.94
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'}

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

3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82878905
4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine
CID 81041163
propan-2-yl 5-amino-1-(1,3-thiazol-2-yl)triazole-4-carboxylate
CID 82220971
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031
O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine
CID 79426492
1-methyl-4-nitro-3-propan-2-ylpyrazole-5-carboxamide
CID 45097304
4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880631
3-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)butan-2-amine
CID 66012343
1-tert-butyl-5-chloro-4-nitro-3-propan-2-ylpyrazole
CID 66022603
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]ethanone
CID 8024362
3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976457
2-nitro-3-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 80843953

Frequently Asked Questions

What is the IUPAC name of 4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The IUPAC name of 4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine (CID 82880630) is 4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine is CC(C)c1nn(-c2nccs2)c(N)c1[N+](=O)[O-].
What is the InChIKey of 4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The InChIKey is BDLLUSXKUAEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-5(2)6-7(14(15)16)8(10)13(12-6)9-11-3-4-17-9/h3-5H,10H2,1-2H3.
What are the key properties of 4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine has a molecular weight of 253.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 82880630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).