N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine

C12H21N5O2 — CID 66026983

IUPACN-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine
SMILESCc1nn(C(C)C)c(NC2CCCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O2/c1-8(2)16-12(11(17(18)19)9(3)15-16)14-10-5-4-6-13-7-10/h8,10,13-14H,4-7H2,1-3H3
InChIKeyZIPZNUYQWLYLDU-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.84
Rot. Bonds4

About N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine

N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine (PubChem CID 66026983) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine
PubChem CID66026983
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine
SMILESCc1nn(C(C)C)c(NC2CCCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O2/c1-8(2)16-12(11(17(18)19)9(3)15-16)14-10-5-4-6-13-7-10/h8,10,13-14H,4-7H2,1-3H3
InChIKeyZIPZNUYQWLYLDU-UHFFFAOYSA-N
XLogP1.84
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
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 N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-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

N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)azepan-4-amine
CID 107173655
N-(azetidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66188441
3-methyl-4-nitro-1-propan-2-yl-N-(pyrrolidin-3-ylmethyl)pyrazol-5-amine
CID 80564001
N-(1,1-dioxothian-4-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66027716
1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine
CID 62381165
N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66026956
N-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)azepan-3-amine
CID 66017638
N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66028515
N-(2-ethylcyclohexyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66029462
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
CID 66016422
N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)hydroxylamine
CID 130500598
2-[[(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66027937

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine?
The IUPAC name of N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine (CID 66026983) is N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine.
What is the SMILES notation for N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine?
The canonical SMILES for N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine is Cc1nn(C(C)C)c(NC2CCCNC2)c1[N+](=O)[O-].
What is the InChIKey of N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine?
The InChIKey is ZIPZNUYQWLYLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)16-12(11(17(18)19)9(3)15-16)14-10-5-4-6-13-7-10/h8,10,13-14H,4-7H2,1-3H3.
What are the key properties of N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine?
N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine has a molecular weight of 267.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 66026983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).