N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide

C20H28N4O2S — CID 56750809

IUPACN-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccnn1C1CCN(CC2CCC2)CC1
InChIInChI=1S/C20H28N4O2S/c25-27(26,16-18-5-2-1-3-6-18)22-20-9-12-21-24(20)19-10-13-23(14-11-19)15-17-7-4-8-17/h1-3,5-6,9,12,17,19,22H,4,7-8,10-11,13-16H2
InChIKeyVVEWVZKBUAZKAC-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.26
Rot. Bonds7

About N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide

N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide (PubChem CID 56750809) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide
PubChem CID56750809
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccnn1C1CCN(CC2CCC2)CC1
InChIInChI=1S/C20H28N4O2S/c25-27(26,16-18-5-2-1-3-6-18)22-20-9-12-21-24(20)19-10-13-23(14-11-19)15-17-7-4-8-17/h1-3,5-6,9,12,17,19,22H,4,7-8,10-11,13-16H2
InChIKeyVVEWVZKBUAZKAC-UHFFFAOYSA-N
XLogP3.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide (CID 56750809) is N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccnn1C1CCN(CC2CCC2)CC1.
What is the InChIKey of N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is VVEWVZKBUAZKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c25-27(26,16-18-5-2-1-3-6-18)22-20-9-12-21-24(20)19-10-13-23(14-11-19)15-17-7-4-8-17/h1-3,5-6,9,12,17,19,22H,4,7-8,10-11,13-16H2.
What are the key properties of N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 388.54 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 56750809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).