4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide

C9H18N4O2S — CID 106029958

IUPAC4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C9H18N4O2S/c1-6(2)7(3)13-16(14,15)9-8(4-10)5-11-12-9/h5-7,13H,4,10H2,1-3H3,(H,11,12)
InChIKeyPKFFZKOELHJKKJ-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.19
Rot. Bonds5

About 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106029958) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106029958
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C9H18N4O2S/c1-6(2)7(3)13-16(14,15)9-8(4-10)5-11-12-9/h5-7,13H,4,10H2,1-3H3,(H,11,12)
InChIKeyPKFFZKOELHJKKJ-UHFFFAOYSA-N
XLogP0.19
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106063300
4-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 114142292
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106070637
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60810253
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076683
4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106018839
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090
4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 106019742
4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 106057867
4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106077357
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106086911

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 106029958) is 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide is CC(C)C(C)NS(=O)(=O)c1[nH]ncc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is PKFFZKOELHJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-6(2)7(3)13-16(14,15)9-8(4-10)5-11-12-9/h5-7,13H,4,10H2,1-3H3,(H,11,12).
What are the key properties of 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106029958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).