1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide

C16H21N3O3S — CID 97306998

IUPAC1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)c1
InChIInChI=1S/C16H21N3O3S/c1-13-3-2-4-14(9-13)12-23(20,21)18-16-5-7-17-19(16)10-15-6-8-22-11-15/h2-5,7,9,15,18H,6,8,10-12H2,1H3/t15-/m1/s1
InChIKeyVWRUDVBKLGBBDP-OAHLLOKOSA-N
MW335.43 g/mol
LogP2.17
Rot. Bonds6

About 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide

1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide (PubChem CID 97306998) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide
PubChem CID97306998
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)c1
InChIInChI=1S/C16H21N3O3S/c1-13-3-2-4-14(9-13)12-23(20,21)18-16-5-7-17-19(16)10-15-6-8-22-11-15/h2-5,7,9,15,18H,6,8,10-12H2,1H3/t15-/m1/s1
InChIKeyVWRUDVBKLGBBDP-OAHLLOKOSA-N
XLogP2.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51098799
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide
CID 129354832
(E)-3-(3,4-dichlorophenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 75364473
1-(2,3-dihydro-1H-inden-2-yl)-3-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]urea
CID 99709604
3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867525
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]urea
CID 99712004
N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide
CID 176560175
2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867514
N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine
CID 75382058
2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 51128391
(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 52510936

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide (CID 97306998) is 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide?
The InChIKey is VWRUDVBKLGBBDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-13-3-2-4-14(9-13)12-23(20,21)18-16-5-7-17-19(16)10-15-6-8-22-11-15/h2-5,7,9,15,18H,6,8,10-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide?
1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 97306998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).