1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide

C17H23N3O3S — CID 129354832

IUPAC1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cnn(C[C@H]3CCCCO3)c2)c1
InChIInChI=1S/C17H23N3O3S/c1-14-5-4-6-15(9-14)13-24(21,22)19-16-10-18-20(11-16)12-17-7-2-3-8-23-17/h4-6,9-11,17,19H,2-3,7-8,12-13H2,1H3/t17-/m1/s1
InChIKeyATNQQPCSHGKPPX-QGZVFWFLSA-N
MW349.46 g/mol
LogP2.70
Rot. Bonds6

About 1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide

1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 129354832) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide
PubChem CID129354832
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cnn(C[C@H]3CCCCO3)c2)c1
InChIInChI=1S/C17H23N3O3S/c1-14-5-4-6-15(9-14)13-24(21,22)19-16-10-18-20(11-16)12-17-7-2-3-8-23-17/h4-6,9-11,17,19H,2-3,7-8,12-13H2,1H3/t17-/m1/s1
InChIKeyATNQQPCSHGKPPX-QGZVFWFLSA-N
XLogP2.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145386
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide
CID 129355346
(E)-2-(4-methylphenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]ethenesulfonamide
CID 51088351
2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121017030
4-tert-butyl-2,6-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 52528885
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 129356517
2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 129356355
2,5-dichloro-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 129356354
4-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butane-1-sulfonamide
CID 116815736
4-ethoxy-3-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145415
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
CID 119099745
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide (CID 129354832) is 1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2cnn(C[C@H]3CCCCO3)c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is ATNQQPCSHGKPPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-14-5-4-6-15(9-14)13-24(21,22)19-16-10-18-20(11-16)12-17-7-2-3-8-23-17/h4-6,9-11,17,19H,2-3,7-8,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide?
1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.70, 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-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 129354832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).