4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole

C8H17N5O2S — CID 79504575

IUPAC4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole
SMILESCC(C)N(C)S(=O)(=O)Nc1[nH]ncc1CN
InChIInChI=1S/C8H17N5O2S/c1-6(2)13(3)16(14,15)12-8-7(4-9)5-10-11-8/h5-6H,4,9H2,1-3H3,(H2,10,11,12)
InChIKeyFAKDFYPFZDCZQH-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.13
Rot. Bonds5

About 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole

4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole (PubChem CID 79504575) has the molecular formula C8H17N5O2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole.

Molecular Properties

Compound Name4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole
PubChem CID79504575
Molecular FormulaC8H17N5O2S
Molecular Weight247.32 g/mol
Exact Mass247.11
IUPAC Name4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole
SMILESCC(C)N(C)S(=O)(=O)Nc1[nH]ncc1CN
InChIInChI=1S/C8H17N5O2S/c1-6(2)13(3)16(14,15)12-8-7(4-9)5-10-11-8/h5-6H,4,9H2,1-3H3,(H2,10,11,12)
InChIKeyFAKDFYPFZDCZQH-UHFFFAOYSA-N
XLogP-0.13
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole?
The IUPAC name of 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole (CID 79504575) is 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole.
What is the SMILES notation for 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole?
The canonical SMILES for 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole is CC(C)N(C)S(=O)(=O)Nc1[nH]ncc1CN.
What is the InChIKey of 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole?
The InChIKey is FAKDFYPFZDCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2S/c1-6(2)13(3)16(14,15)12-8-7(4-9)5-10-11-8/h5-6H,4,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole?
4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole has a molecular weight of 247.32 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole is sourced from PubChem (CID 79504575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).