5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide

C12H16ClN5O3S — CID 126827647

IUPAC5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCCCOc1ncccn1
InChIInChI=1S/C12H16ClN5O3S/c1-9-10(11(13)18(2)17-9)22(19,20)16-7-4-8-21-12-14-5-3-6-15-12/h3,5-6,16H,4,7-8H2,1-2H3
InChIKeyYGXODROZDMTEFB-UHFFFAOYSA-N
MW345.81 g/mol
LogP0.92
Rot. Bonds7

About 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide (PubChem CID 126827647) has the molecular formula C12H16ClN5O3S and a molecular weight of 345.81 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide
PubChem CID126827647
Molecular FormulaC12H16ClN5O3S
Molecular Weight345.81 g/mol
Exact Mass345.07
IUPAC Name5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCCCOc1ncccn1
InChIInChI=1S/C12H16ClN5O3S/c1-9-10(11(13)18(2)17-9)22(19,20)16-7-4-8-21-12-14-5-3-6-15-12/h3,5-6,16H,4,7-8H2,1-2H3
InChIKeyYGXODROZDMTEFB-UHFFFAOYSA-N
XLogP0.92
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide
CID 167874233
N-butyl-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3765982
N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 55873493
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3326283
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 94192668
N-[(3-bromophenyl)methyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 25038613
5-chloro-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3689918
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632
5-chloro-N-[2-[7-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 11641986
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22207448
5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 125447798

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide (CID 126827647) is 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCOc1ncccn1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide?
The InChIKey is YGXODROZDMTEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O3S/c1-9-10(11(13)18(2)17-9)22(19,20)16-7-4-8-21-12-14-5-3-6-15-12/h3,5-6,16H,4,7-8H2,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide has a molecular weight of 345.81 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 126827647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).