5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H13N5O4S — CID 60949550

IUPAC5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H13N5O4S/c1-14-5-7(3-12-14)6-15(2)20(18,19)9-8(10(16)17)4-11-13-9/h3-5H,6H2,1-2H3,(H,11,13)(H,16,17)
InChIKeyLIVRFJGDPYXWDX-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.34
Rot. Bonds5

About 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60949550) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60949550
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H13N5O4S/c1-14-5-7(3-12-14)6-15(2)20(18,19)9-8(10(16)17)4-11-13-9/h3-5H,6H2,1-2H3,(H,11,13)(H,16,17)
InChIKeyLIVRFJGDPYXWDX-UHFFFAOYSA-N
XLogP-0.34
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 60681316
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114948674
2-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794973
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771399
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 63712565
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708
N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090600
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
CID 71844962

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60949550) is 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is CN(Cc1cnn(C)c1)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is LIVRFJGDPYXWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-14-5-7(3-12-14)6-15(2)20(18,19)9-8(10(16)17)4-11-13-9/h3-5H,6H2,1-2H3,(H,11,13)(H,16,17).
What are the key properties of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60949550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).