2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate

C13H21N3O4S — CID 106207163

IUPAC2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCC(C)c1[nH]nc(C(=O)OCCC2CCC2)c1S(N)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-8(2)10-12(21(14,18)19)11(16-15-10)13(17)20-7-6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,14,18,19)
InChIKeyHBPJZVBZYHUTHU-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.53
Rot. Bonds6

About 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate

2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate (PubChem CID 106207163) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
PubChem CID106207163
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCC(C)c1[nH]nc(C(=O)OCCC2CCC2)c1S(N)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-8(2)10-12(21(14,18)19)11(16-15-10)13(17)20-7-6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,14,18,19)
InChIKeyHBPJZVBZYHUTHU-UHFFFAOYSA-N
XLogP1.53
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

pentyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65382504
N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388696
cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 66324440
4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381478
oxolan-3-ylmethyl 4-chlorosulfonyl-5-propan-2-yl-1H-pyrazole-3-carboxylate
CID 65373946
N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 104766756
hexyl 4-chlorosulfonyl-5-propan-2-yl-1H-pyrazole-3-carboxylate
CID 65374508
N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389011
N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373634
4-amino-N-(3-cyclopentylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106006372
3,3-dimethylbutyl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 66226690
N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387608

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The IUPAC name of 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate (CID 106207163) is 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate is CC(C)c1[nH]nc(C(=O)OCCC2CCC2)c1S(N)(=O)=O.
What is the InChIKey of 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The InChIKey is HBPJZVBZYHUTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-8(2)10-12(21(14,18)19)11(16-15-10)13(17)20-7-6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,14,18,19).
What are the key properties of 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate has a molecular weight of 315.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 106207163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).