N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide

C12H19N3O3S — CID 129355346

IUPACN-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cnn(C[C@H]2CCCCO2)c1)C1CC1
InChIInChI=1S/C12H19N3O3S/c16-19(17,12-4-5-12)14-10-7-13-15(8-10)9-11-3-1-2-6-18-11/h7-8,11-12,14H,1-6,9H2/t11-/m1/s1
InChIKeyHFDVOYNXXUNUGC-LLVKDONJSA-N
MW285.37 g/mol
LogP1.36
Rot. Bonds5

About N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide

N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide (PubChem CID 129355346) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide
PubChem CID129355346
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cnn(C[C@H]2CCCCO2)c1)C1CC1
InChIInChI=1S/C12H19N3O3S/c16-19(17,12-4-5-12)14-10-7-13-15(8-10)9-11-3-1-2-6-18-11/h7-8,11-12,14H,1-6,9H2/t11-/m1/s1
InChIKeyHFDVOYNXXUNUGC-LLVKDONJSA-N
XLogP1.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121017030
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 129356517
4-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butane-1-sulfonamide
CID 116815736
4-tert-butyl-2,6-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 52528885
3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145386
1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide
CID 129354832
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide (CID 129355346) is N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide is O=S(=O)(Nc1cnn(C[C@H]2CCCCO2)c1)C1CC1.
What is the InChIKey of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide?
The InChIKey is HFDVOYNXXUNUGC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-19(17,12-4-5-12)14-10-7-13-15(8-10)9-11-3-1-2-6-18-11/h7-8,11-12,14H,1-6,9H2/t11-/m1/s1.
What are the key properties of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide?
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 129355346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).