5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide

C12H23N5O3S — CID 106075897

IUPAC5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCNCc1n[nH]c(C)c1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C12H23N5O3S/c1-3-4-13-9-11-12(10(2)14-15-11)21(18,19)16-17-5-7-20-8-6-17/h13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyMVSKQVCDQULIDK-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.26
Rot. Bonds7

About 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106075897) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106075897
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCNCc1n[nH]c(C)c1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C12H23N5O3S/c1-3-4-13-9-11-12(10(2)14-15-11)21(18,19)16-17-5-7-20-8-6-17/h13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyMVSKQVCDQULIDK-UHFFFAOYSA-N
XLogP-0.26
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide (CID 106075897) is 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide is CCCNCc1n[nH]c(C)c1S(=O)(=O)NN1CCOCC1.
What is the InChIKey of 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is MVSKQVCDQULIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-3-4-13-9-11-12(10(2)14-15-11)21(18,19)16-17-5-7-20-8-6-17/h13,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 317.42 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106075897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).