4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine

C15H18N4O2 — CID 133279989

IUPAC4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine
SMILESCn1cc(C2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1
InChIInChI=1S/C15H18N4O2/c1-17-11-13(10-16-17)12-6-8-18(9-7-12)14-4-2-3-5-15(14)19(20)21/h2-5,10-12H,6-9H2,1H3
InChIKeyDRSYWMOKAXBFFN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.71
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine

4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine (PubChem CID 133279989) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine
PubChem CID133279989
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine
SMILESCn1cc(C2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1
InChIInChI=1S/C15H18N4O2/c1-17-11-13(10-16-17)12-6-8-18(9-7-12)14-4-2-3-5-15(14)19(20)21/h2-5,10-12H,6-9H2,1H3
InChIKeyDRSYWMOKAXBFFN-UHFFFAOYSA-N
XLogP2.71
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine 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

4-(1-methylpyrazol-4-yl)-1-(4-nitrophenyl)piperidine
CID 133300632
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 31846735
4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine
CID 71098478
(1-methylimidazol-2-yl)-[4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-nitrophenyl]methanone
CID 133300627
2-[1-(2-nitrophenyl)piperidin-4-yl]-1,3-benzoxazole
CID 33089272
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine
CID 56807209
2-[1-(2-nitrophenyl)piperidin-4-yl]-1,3-benzothiazole
CID 7922983
4-methyl-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-(3-nitrophenyl)pyrimidine
CID 133300618

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine (CID 133279989) is 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine is Cn1cc(C2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine?
The InChIKey is DRSYWMOKAXBFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17-11-13(10-16-17)12-6-8-18(9-7-12)14-4-2-3-5-15(14)19(20)21/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine?
4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine has a molecular weight of 286.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine is sourced from PubChem (CID 133279989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).