1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol

C12H20N4O3 — CID 66020040

IUPAC1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol
SMILESCCCc1nn(C)c(N2CCCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O3/c1-3-5-10-11(16(18)19)12(14(2)13-10)15-7-4-6-9(17)8-15/h9,17H,3-8H2,1-2H3
InChIKeyIUQKZRDJCYRGSM-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.24
Rot. Bonds4

About 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol

1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol (PubChem CID 66020040) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol
PubChem CID66020040
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol
SMILESCCCc1nn(C)c(N2CCCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O3/c1-3-5-10-11(16(18)19)12(14(2)13-10)15-7-4-6-9(17)8-15/h9,17H,3-8H2,1-2H3
InChIKeyIUQKZRDJCYRGSM-UHFFFAOYSA-N
XLogP1.24
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
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'}

Analyze 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol 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-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine
CID 133440986
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-yl]acetic acid
CID 66015149
[1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)pyrrolidin-2-yl]methanamine
CID 115313260
methyl 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)pyrrolidine-2-carboxylate
CID 66017343
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azepane
CID 133423341
2-[4-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperazin-1-yl]acetonitrile
CID 66016672
N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
CID 115305500
[1-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66020017
(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
CID 104892733
4-(1-methyl-4-nitro-3-propylpyrazol-5-yl)thiomorpholine-3-carboxylic acid
CID 82902696
1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)imidazole-4-carboxylic acid
CID 66017144
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol?
The IUPAC name of 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol (CID 66020040) is 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol.
What is the SMILES notation for 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol?
The canonical SMILES for 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol is CCCc1nn(C)c(N2CCCC(O)C2)c1[N+](=O)[O-].
What is the InChIKey of 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol?
The InChIKey is IUQKZRDJCYRGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-5-10-11(16(18)19)12(14(2)13-10)15-7-4-6-9(17)8-15/h9,17H,3-8H2,1-2H3.
What are the key properties of 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol?
1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol has a molecular weight of 268.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 66020040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).