4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide

C13H24N4O2S — CID 106027691

IUPAC4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C13H24N4O2S/c1-3-14-8-11-9-15-16-13(11)20(18,19)17-12-6-4-5-10(2)7-12/h9-10,12,14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyLMVPJMVVSAIWFB-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.38
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide

4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106027691) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
PubChem CID106027691
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C13H24N4O2S/c1-3-14-8-11-9-15-16-13(11)20(18,19)17-12-6-4-5-10(2)7-12/h9-10,12,14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyLMVPJMVVSAIWFB-UHFFFAOYSA-N
XLogP1.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068893
4-(ethylaminomethyl)-N-(2-methyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106094012
2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027406
4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106086431
N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106075100
4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106093464
5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 60809111
4-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064191
4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064257
4-(ethylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106094891
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide (CID 106027691) is 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NC1CCCC(C)C1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is LMVPJMVVSAIWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-14-8-11-9-15-16-13(11)20(18,19)17-12-6-4-5-10(2)7-12/h9-10,12,14,17H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106027691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).