3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide

C11H22N4O3S — CID 61126801

IUPAC3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCCO)C(C)C)c(N)n1
InChIInChI=1S/C11H22N4O3S/c1-4-14-8-10(11(12)13-14)19(17,18)15(9(2)3)6-5-7-16/h8-9,16H,4-7H2,1-3H3,(H2,12,13)
InChIKeyNFUDCZIABHCWHQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.27
Rot. Bonds7

About 3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide

3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 61126801) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide
PubChem CID61126801
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCCO)C(C)C)c(N)n1
InChIInChI=1S/C11H22N4O3S/c1-4-14-8-10(11(12)13-14)19(17,18)15(9(2)3)6-5-7-16/h8-9,16H,4-7H2,1-3H3,(H2,12,13)
InChIKeyNFUDCZIABHCWHQ-UHFFFAOYSA-N
XLogP0.27
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide (CID 61126801) is 3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCCO)C(C)C)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is NFUDCZIABHCWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-4-14-8-10(11(12)13-14)19(17,18)15(9(2)3)6-5-7-16/h8-9,16H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.27, 7 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-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 61126801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).