4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide

C10H20N4O3S — CID 114142092

IUPAC4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1n[nH]c(C)c1CN
InChIInChI=1S/C10H20N4O3S/c1-7-8(5-11)9(14-13-7)18(15,16)12-6-10(2,3)17-4/h12H,5-6,11H2,1-4H3,(H,13,14)
InChIKeyJVRMRCVWRBBSQP-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.12
Rot. Bonds6

About 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 114142092) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID114142092
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1n[nH]c(C)c1CN
InChIInChI=1S/C10H20N4O3S/c1-7-8(5-11)9(14-13-7)18(15,16)12-6-10(2,3)17-4/h12H,5-6,11H2,1-4H3,(H,13,14)
InChIKeyJVRMRCVWRBBSQP-UHFFFAOYSA-N
XLogP-0.12
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106026981
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078610
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055894
4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106068334
4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide
CID 107818690
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090
4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114141590
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524
4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106085938
5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 104758545
4-(aminomethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106092020

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 114142092) is 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide is COC(C)(C)CNS(=O)(=O)c1n[nH]c(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is JVRMRCVWRBBSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-7-8(5-11)9(14-13-7)18(15,16)12-6-10(2,3)17-4/h12H,5-6,11H2,1-4H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 114142092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).