3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

C7H13N3O2S — CID 66020430

IUPAC3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C7H13N3O2S/c1-5(2)10-4-7(6(3)9-10)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12)
InChIKeyVREXESIGMQFVSJ-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.42
Rot. Bonds2

About 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 66020430) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID66020430
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C7H13N3O2S/c1-5(2)10-4-7(6(3)9-10)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12)
InChIKeyVREXESIGMQFVSJ-UHFFFAOYSA-N
XLogP0.42
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 6465895
1,3-Dimethyl-4-[(4-propylpiperazinyl)sulfonyl]pyrazole
CID 6466875
1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 4635707
1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 13342783
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 19620090
N-cyclopentyl-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6468008
1-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 22203950
1-((1,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-piperidinamine
CID 25247406
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 2794561
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485338
1-(difluoromethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485422
1-Ethyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024580

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 66020430) is 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is VREXESIGMQFVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-5(2)10-4-7(6(3)9-10)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12).
What are the key properties of 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
3-methyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 66020430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).