N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide

C15H23N5O2S — CID 71870455

IUPACN-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cn1
InChIInChI=1S/C15H23N5O2S/c1-5-19(6-2)15-8-7-13(9-16-15)18-23(21,22)14-10-17-20(11-14)12(3)4/h7-12,18H,5-6H2,1-4H3
InChIKeyDGJYHESNZGOJBX-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.51
Rot. Bonds7

About N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide

N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71870455) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71870455
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cn1
InChIInChI=1S/C15H23N5O2S/c1-5-19(6-2)15-8-7-13(9-16-15)18-23(21,22)14-10-17-20(11-14)12(3)4/h7-12,18H,5-6H2,1-4H3
InChIKeyDGJYHESNZGOJBX-UHFFFAOYSA-N
XLogP2.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 71870455) is N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is DGJYHESNZGOJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-5-19(6-2)15-8-7-13(9-16-15)18-23(21,22)14-10-17-20(11-14)12(3)4/h7-12,18H,5-6H2,1-4H3.
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71870455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).