N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide

C23H30N6O2S — CID 121433150

IUPACN-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide
SMILESCn1nccc1C(c1ccccc1)N1CCN(CCc2cccc(NS(C)(=O)=O)n2)CC1
InChIInChI=1S/C23H30N6O2S/c1-27-21(11-13-24-27)23(19-7-4-3-5-8-19)29-17-15-28(16-18-29)14-12-20-9-6-10-22(25-20)26-32(2,30)31/h3-11,13,23H,12,14-18H2,1-2H3,(H,25,26)
InChIKeyGDBZUBRCQWDLNH-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.14
Rot. Bonds8

About N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide

N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide (PubChem CID 121433150) has the molecular formula C23H30N6O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide
PubChem CID121433150
Molecular FormulaC23H30N6O2S
Molecular Weight454.60 g/mol
Exact Mass454.22
IUPAC NameN-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide
SMILESCn1nccc1C(c1ccccc1)N1CCN(CCc2cccc(NS(C)(=O)=O)n2)CC1
InChIInChI=1S/C23H30N6O2S/c1-27-21(11-13-24-27)23(19-7-4-3-5-8-19)29-17-15-28(16-18-29)14-12-20-9-6-10-22(25-20)26-32(2,30)31/h3-11,13,23H,12,14-18H2,1-2H3,(H,25,26)
InChIKeyGDBZUBRCQWDLNH-UHFFFAOYSA-N
XLogP2.14
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide 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-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine
CID 121433185
3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol
CID 121415159
4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 171913174
2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
CID 174413644
1-benzhydryl-4-butylpiperazine
CID 13416419
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine
CID 22397650
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
10-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonic acid
CID 19700573
1-benzhydryl-4-octylpiperazine
CID 12006583

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide (CID 121433150) is N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide is Cn1nccc1C(c1ccccc1)N1CCN(CCc2cccc(NS(C)(=O)=O)n2)CC1.
What is the InChIKey of N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is GDBZUBRCQWDLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S/c1-27-21(11-13-24-27)23(19-7-4-3-5-8-19)29-17-15-28(16-18-29)14-12-20-9-6-10-22(25-20)26-32(2,30)31/h3-11,13,23H,12,14-18H2,1-2H3,(H,25,26).
What are the key properties of N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide?
N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 454.60 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 121433150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).