3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide

C13H18N4O3S — CID 61139394

IUPAC3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2ccc(O)cc2)c(N)n1
InChIInChI=1S/C13H18N4O3S/c1-3-17-9-12(13(14)15-17)21(19,20)16(2)8-10-4-6-11(18)7-5-10/h4-7,9,18H,3,8H2,1-2H3,(H2,14,15)
InChIKeyJMQPTDNQFONZRT-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.01
Rot. Bonds5

About 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide

3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide (PubChem CID 61139394) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide
PubChem CID61139394
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2ccc(O)cc2)c(N)n1
InChIInChI=1S/C13H18N4O3S/c1-3-17-9-12(13(14)15-17)21(19,20)16(2)8-10-4-6-11(18)7-5-10/h4-7,9,18H,3,8H2,1-2H3,(H2,14,15)
InChIKeyJMQPTDNQFONZRT-UHFFFAOYSA-N
XLogP1.01
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(4-methoxybenzyl)-1H-pyrazole-4-sulfonamide
CID 6470938
2-hydroxy-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 47389395
N-(1-benzylpyrazol-3-yl)-2-hydroxy-5-methylbenzenesulfonamide
CID 51125523
4-Isocyanosulfanyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine
CID 57712408
4-[(5-Aminopyrazol-1-yl)methyl]phenol
CID 68250816
4-[3-Amino-1-(3-aminopropyl)pyrazol-4-yl]phenol
CID 129282013
1-[(4-Methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 151243600
3-Amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile
CID 153372050
4-(((1-Propyl-1H-pyrazol-3-yl)amino)methyl)phenol
CID 19576770
4-[[(1-Ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
4-[[(1-Methylpyrazol-3-yl)amino]methyl]phenol
CID 19627553
N-[(4-hydroxyphenyl)methyl]-1-methyl-N-phenylpyrazole-4-sulfonamide
CID 53596060

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide (CID 61139394) is 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)Cc2ccc(O)cc2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide?
The InChIKey is JMQPTDNQFONZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-3-17-9-12(13(14)15-17)21(19,20)16(2)8-10-4-6-11(18)7-5-10/h4-7,9,18H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide?
3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 61139394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).