2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide

C17H23N3O3S — CID 91789087

IUPAC2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide
SMILESCCn1nc(C)cc1S(=O)(=O)NC(c1ccccc1)C1CC(O)C1
InChIInChI=1S/C17H23N3O3S/c1-3-20-16(9-12(2)18-20)24(22,23)19-17(14-10-15(21)11-14)13-7-5-4-6-8-13/h4-9,14-15,17,19,21H,3,10-11H2,1-2H3
InChIKeyNXXYHXPCCWMTQZ-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.00
Rot. Bonds6

About 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide

2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide (PubChem CID 91789087) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide
PubChem CID91789087
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide
SMILESCCn1nc(C)cc1S(=O)(=O)NC(c1ccccc1)C1CC(O)C1
InChIInChI=1S/C17H23N3O3S/c1-3-20-16(9-12(2)18-20)24(22,23)19-17(14-10-15(21)11-14)13-7-5-4-6-8-13/h4-9,14-15,17,19,21H,3,10-11H2,1-2H3
InChIKeyNXXYHXPCCWMTQZ-UHFFFAOYSA-N
XLogP2.00
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide (CID 91789087) is 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide is CCn1nc(C)cc1S(=O)(=O)NC(c1ccccc1)C1CC(O)C1.
What is the InChIKey of 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide?
The InChIKey is NXXYHXPCCWMTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-20-16(9-12(2)18-20)24(22,23)19-17(14-10-15(21)11-14)13-7-5-4-6-8-13/h4-9,14-15,17,19,21H,3,10-11H2,1-2H3.
What are the key properties of 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide?
2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-hydroxycyclobutyl)-phenylmethyl]-5-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 91789087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).