N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C16H22N6O2S — CID 126917028

IUPACN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C16H22N6O2S/c1-10-16(11(2)19-18-10)25(23,24)17-7-12-8-22(9-12)15-6-5-14(20-21-15)13-3-4-13/h5-6,12-13,17H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyBIPTZOUEHQXSEC-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.11
Rot. Bonds6

About N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 126917028) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID126917028
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C16H22N6O2S/c1-10-16(11(2)19-18-10)25(23,24)17-7-12-8-22(9-12)15-6-5-14(20-21-15)13-3-4-13/h5-6,12-13,17H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyBIPTZOUEHQXSEC-UHFFFAOYSA-N
XLogP1.11
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide with MolForge

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972506
3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110737156
1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide
CID 126916698
3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 126930391
3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80585796
3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 110640246
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 126917193
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126916983
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 126918126
3,5-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 110405080
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
CID 126917333
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine
CID 126917642

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 126917028) is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC1CN(c2ccc(C3CC3)nn2)C1.
What is the InChIKey of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BIPTZOUEHQXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-10-16(11(2)19-18-10)25(23,24)17-7-12-8-22(9-12)15-6-5-14(20-21-15)13-3-4-13/h5-6,12-13,17H,3-4,7-9H2,1-2H3,(H,18,19).
What are the key properties of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 126917028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).