N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide

C15H20N6O3S — CID 166259448

IUPACN,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccncc2-n2cccn2)CC1
InChIInChI=1S/C15H20N6O3S/c1-18(2)25(23,24)20-10-8-19(9-11-20)15(22)13-4-6-16-12-14(13)21-7-3-5-17-21/h3-7,12H,8-11H2,1-2H3
InChIKeyKTSXAENHKVKCMU-UHFFFAOYSA-N
MW364.43 g/mol
LogP-0.17
Rot. Bonds4

About N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide (PubChem CID 166259448) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide
PubChem CID166259448
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC NameN,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccncc2-n2cccn2)CC1
InChIInChI=1S/C15H20N6O3S/c1-18(2)25(23,24)20-10-8-19(9-11-20)15(22)13-4-6-16-12-14(13)21-7-3-5-17-21/h3-7,12H,8-11H2,1-2H3
InChIKeyKTSXAENHKVKCMU-UHFFFAOYSA-N
XLogP-0.17
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide (CID 166259448) is N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2ccncc2-n2cccn2)CC1.
What is the InChIKey of N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide?
The InChIKey is KTSXAENHKVKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-18(2)25(23,24)20-10-8-19(9-11-20)15(22)13-4-6-16-12-14(13)21-7-3-5-17-21/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 166259448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).