3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride

C12H20ClN3O4S — CID 104766638

IUPAC3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NCC(C)(C)OC)c1S(=O)(=O)Cl
InChIInChI=1S/C12H20ClN3O4S/c1-5-6-8-10(21(13,18)19)9(16-15-8)11(17)14-7-12(2,3)20-4/h5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyOXYMQYWQRYRDFR-UHFFFAOYSA-N
MW337.83 g/mol
LogP1.44
Rot. Bonds7

About 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride

3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 104766638) has the molecular formula C12H20ClN3O4S and a molecular weight of 337.83 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID104766638
Molecular FormulaC12H20ClN3O4S
Molecular Weight337.83 g/mol
Exact Mass337.09
IUPAC Name3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NCC(C)(C)OC)c1S(=O)(=O)Cl
InChIInChI=1S/C12H20ClN3O4S/c1-5-6-8-10(21(13,18)19)9(16-15-8)11(17)14-7-12(2,3)20-4/h5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyOXYMQYWQRYRDFR-UHFFFAOYSA-N
XLogP1.44
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 103465535
3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65371335
3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 113304100
3-(2,3-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65396132
N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387817
3-(butan-2-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65368759
3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367058
5-ethyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372389
N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 104766756
4-amino-N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 104758271
N-ethyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373266
3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65371724

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride (CID 104766638) is 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride is CCCc1[nH]nc(C(=O)NCC(C)(C)OC)c1S(=O)(=O)Cl.
What is the InChIKey of 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is OXYMQYWQRYRDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O4S/c1-5-6-8-10(21(13,18)19)9(16-15-8)11(17)14-7-12(2,3)20-4/h5-7H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride?
3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 337.83 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 104766638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).