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

C13H24N4O2S — CID 106027270

IUPACN-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-3-14-9-12-13(10(2)16-17-12)20(18,19)15-8-11-6-4-5-7-11/h11,14-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyCJWLRCUNYKEMFM-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.30
Rot. Bonds7

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

N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106027270) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106027270
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-3-14-9-12-13(10(2)16-17-12)20(18,19)15-8-11-6-4-5-7-11/h11,14-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyCJWLRCUNYKEMFM-UHFFFAOYSA-N
XLogP1.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-(propylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106089228
N-(1-cyclopropylpropan-2-yl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106065894
3-(ethylaminomethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106031016
3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093372
N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972506
3-(ethylaminomethyl)-5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106013540
3-(ethylaminomethyl)-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-4-sulfonamide
CID 106064926
4-(ethylaminomethyl)-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106062981
3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093623
3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106072257
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
CID 106070171

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 106027270) is N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide is CCNCc1n[nH]c(C)c1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is CJWLRCUNYKEMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-14-9-12-13(10(2)16-17-12)20(18,19)15-8-11-6-4-5-7-11/h11,14-15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106027270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).