N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide

C10H17N5O3S — CID 54876954

IUPACN,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H17N5O3S/c1-13(2)19(17,18)15-5-3-14(4-6-15)10(16)9-7-11-12-8-9/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyZSRSVLDQXQRISV-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.03
Rot. Bonds3

About N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide (PubChem CID 54876954) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide
PubChem CID54876954
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC NameN,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H17N5O3S/c1-13(2)19(17,18)15-5-3-14(4-6-15)10(16)9-7-11-12-8-9/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyZSRSVLDQXQRISV-UHFFFAOYSA-N
XLogP-1.03
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide (CID 54876954) is N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide?
The InChIKey is ZSRSVLDQXQRISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-13(2)19(17,18)15-5-3-14(4-6-15)10(16)9-7-11-12-8-9/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 54876954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).