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

C11H22N4O2S — CID 106063300

IUPAC4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C11H22N4O2S/c1-4-9(5-2)8(3)15-18(16,17)11-10(6-12)7-13-14-11/h7-9,15H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyPFYYMDRLQIMWTF-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.97
Rot. Bonds7

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

4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106063300) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106063300
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C11H22N4O2S/c1-4-9(5-2)8(3)15-18(16,17)11-10(6-12)7-13-14-11/h7-9,15H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyPFYYMDRLQIMWTF-UHFFFAOYSA-N
XLogP0.97
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
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
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076683
5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61463527
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-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 79500868
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106086911
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide (CID 106063300) is 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide is CCC(CC)C(C)NS(=O)(=O)c1[nH]ncc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is PFYYMDRLQIMWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-4-9(5-2)8(3)15-18(16,17)11-10(6-12)7-13-14-11/h7-9,15H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106063300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).