4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid

C17H27N5O2 — CID 154922181

IUPAC4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid
SMILESCc1nn(C)cc1-n1ccnc1C1CCN(C(C)C)CC1.O=CO
InChIInChI=1S/C16H25N5.CH2O2/c1-12(2)20-8-5-14(6-9-20)16-17-7-10-21(16)15-11-19(4)18-13(15)3;2-1-3/h7,10-12,14H,5-6,8-9H2,1-4H3;1H,(H,2,3)
InChIKeyJDSQGOUTGBZNAH-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.20
Rot. Bonds3

About 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid

4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid (PubChem CID 154922181) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid.

Molecular Properties

Compound Name4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid
PubChem CID154922181
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid
SMILESCc1nn(C)cc1-n1ccnc1C1CCN(C(C)C)CC1.O=CO
InChIInChI=1S/C16H25N5.CH2O2/c1-12(2)20-8-5-14(6-9-20)16-17-7-10-21(16)15-11-19(4)18-13(15)3;2-1-3/h7,10-12,14H,5-6,8-9H2,1-4H3;1H,(H,2,3)
InChIKeyJDSQGOUTGBZNAH-UHFFFAOYSA-N
XLogP2.20
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid?
The IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid (CID 154922181) is 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid.
What is the SMILES notation for 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid?
The canonical SMILES for 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid is Cc1nn(C)cc1-n1ccnc1C1CCN(C(C)C)CC1.O=CO.
What is the InChIKey of 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid?
The InChIKey is JDSQGOUTGBZNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.CH2O2/c1-12(2)20-8-5-14(6-9-20)16-17-7-10-21(16)15-11-19(4)18-13(15)3;2-1-3/h7,10-12,14H,5-6,8-9H2,1-4H3;1H,(H,2,3).
What are the key properties of 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid?
4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid has a molecular weight of 333.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-dimethylpyrazol-4-yl)imidazol-2-yl]-1-propan-2-ylpiperidine;formic acid is sourced from PubChem (CID 154922181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).