N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide

C14H16N6O3S — CID 154769117

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCCO2)c1)c1c[nH]c2ncncc12
InChIInChI=1S/C14H16N6O3S/c21-24(22,13-6-16-14-12(13)5-15-9-17-14)19-10-4-18-20(7-10)8-11-2-1-3-23-11/h4-7,9,11,19H,1-3,8H2,(H,15,16,17)
InChIKeyNYLCYRGCFTWBQM-UHFFFAOYSA-N
MW348.39 g/mol
LogP1.13
Rot. Bonds5

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide (PubChem CID 154769117) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide
PubChem CID154769117
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCCO2)c1)c1c[nH]c2ncncc12
InChIInChI=1S/C14H16N6O3S/c21-24(22,13-6-16-14-12(13)5-15-9-17-14)19-10-4-18-20(7-10)8-11-2-1-3-23-11/h4-7,9,11,19H,1-3,8H2,(H,15,16,17)
InChIKeyNYLCYRGCFTWBQM-UHFFFAOYSA-N
XLogP1.13
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide with MolForge

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Related Compounds

4-tert-butyl-2,6-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 52528885
2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121017030
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
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide
CID 129355346
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 129356517
3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145386
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide (CID 154769117) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide is O=S(=O)(Nc1cnn(CC2CCCO2)c1)c1c[nH]c2ncncc12.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide?
The InChIKey is NYLCYRGCFTWBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c21-24(22,13-6-16-14-12(13)5-15-9-17-14)19-10-4-18-20(7-10)8-11-2-1-3-23-11/h4-7,9,11,19H,1-3,8H2,(H,15,16,17).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide has a molecular weight of 348.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide is sourced from PubChem (CID 154769117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).