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

C15H18N6O2S — CID 71993045

IUPACN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nccn1-c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cn1
InChIInChI=1S/C15H18N6O2S/c1-11(2)21-10-14(9-18-21)24(22,23)19-13-4-5-15(17-8-13)20-7-6-16-12(20)3/h4-11,19H,1-3H3
InChIKeyGUGNQBVKQRSHGI-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.15
Rot. Bonds5

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

N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71993045) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71993045
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nccn1-c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cn1
InChIInChI=1S/C15H18N6O2S/c1-11(2)21-10-14(9-18-21)24(22,23)19-13-4-5-15(17-8-13)20-7-6-16-12(20)3/h4-11,19H,1-3H3
InChIKeyGUGNQBVKQRSHGI-UHFFFAOYSA-N
XLogP2.15
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 71993045) is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nccn1-c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cn1.
What is the InChIKey of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is GUGNQBVKQRSHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-11(2)21-10-14(9-18-21)24(22,23)19-13-4-5-15(17-8-13)20-7-6-16-12(20)3/h4-11,19H,1-3H3.
What are the key properties of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 346.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71993045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).