1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine

C17H21N3O2S — CID 53185321

IUPAC1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(C1CC1)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C17H21N3O2S/c21-23(22,15-6-7-15)20-10-8-14(9-11-20)17-12-16(18-19-17)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,18,19)
InChIKeyCHKLQDGHXDDEPU-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.75
Rot. Bonds4

About 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine

1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine (PubChem CID 53185321) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine
PubChem CID53185321
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(C1CC1)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C17H21N3O2S/c21-23(22,15-6-7-15)20-10-8-14(9-11-20)17-12-16(18-19-17)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,18,19)
InChIKeyCHKLQDGHXDDEPU-UHFFFAOYSA-N
XLogP2.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine 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 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine (CID 53185321) is 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine is O=S(=O)(C1CC1)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is CHKLQDGHXDDEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-23(22,15-6-7-15)20-10-8-14(9-11-20)17-12-16(18-19-17)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,18,19).
What are the key properties of 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 331.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 53185321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).