tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate

C17H23N3O2S — CID 3413479

IUPACtert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(-c3cccs3)n[nH]2)CC1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)20-8-6-12(7-9-20)13-11-14(19-18-13)15-5-4-10-23-15/h4-5,10-12H,6-9H2,1-3H3,(H,18,19)
InChIKeyUSZUTVQFLPZXIC-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.25
Rot. Bonds2

About tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate

tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate (PubChem CID 3413479) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate
PubChem CID3413479
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Nametert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(-c3cccs3)n[nH]2)CC1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)20-8-6-12(7-9-20)13-11-14(19-18-13)15-5-4-10-23-15/h4-5,10-12H,6-9H2,1-3H3,(H,18,19)
InChIKeyUSZUTVQFLPZXIC-UHFFFAOYSA-N
XLogP4.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate 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

1-(4-methylbenzyl)-4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidine
CID 1488673
1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
CID 10497179
4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
CID 176376104
US10030012, Example 17
CID 78318807
1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56714764
4,4,4-trifluoro-1-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-piperidyl]butan-1-one
CID 56946369
1-[4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 53165417
3-thiophen-2-yl-4,5,7,8-tetrahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester
CID 67269080
1h-Pyrazolo[4,3-c]pyridine,5-acetyl-4,5,6,7-tetrahydro-3-(2-thienyl)-
CID 57207134
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 55953467
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 55955003
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 55976186

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate (CID 3413479) is tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccs3)n[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is USZUTVQFLPZXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)20-8-6-12(7-9-20)13-11-14(19-18-13)15-5-4-10-23-15/h4-5,10-12H,6-9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 333.46 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 3413479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).