4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

C11H20N6O3S — CID 62082114

IUPAC4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1N
InChIInChI=1S/C11H20N6O3S/c1-8-9(12)10(14-13-8)11(18)16-4-6-17(7-5-16)21(19,20)15(2)3/h4-7,12H2,1-3H3,(H,13,14)
InChIKeyPMFHSCWGVSQMPB-UHFFFAOYSA-N
MW316.39 g/mol
LogP-1.14
Rot. Bonds3

About 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 62082114) has the molecular formula C11H20N6O3S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID62082114
Molecular FormulaC11H20N6O3S
Molecular Weight316.39 g/mol
Exact Mass316.13
IUPAC Name4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1N
InChIInChI=1S/C11H20N6O3S/c1-8-9(12)10(14-13-8)11(18)16-4-6-17(7-5-16)21(19,20)15(2)3/h4-7,12H2,1-3H3,(H,13,14)
InChIKeyPMFHSCWGVSQMPB-UHFFFAOYSA-N
XLogP-1.14
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 62082114) is 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1N.
What is the InChIKey of 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is PMFHSCWGVSQMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O3S/c1-8-9(12)10(14-13-8)11(18)16-4-6-17(7-5-16)21(19,20)15(2)3/h4-7,12H2,1-3H3,(H,13,14).
What are the key properties of 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 62082114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).