1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine

C18H27N5O2S — CID 91913629

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine
SMILESCCn1cc(S(=O)(=O)N2CC(N(Cc3cccnc3)CC(C)C)C2)cn1
InChIInChI=1S/C18H27N5O2S/c1-4-22-14-18(9-20-22)26(24,25)23-12-17(13-23)21(10-15(2)3)11-16-6-5-7-19-8-16/h5-9,14-15,17H,4,10-13H2,1-3H3
InChIKeyJLRJQMFHXMADFS-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.83
Rot. Bonds8

About 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine

1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine (PubChem CID 91913629) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine
PubChem CID91913629
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine
SMILESCCn1cc(S(=O)(=O)N2CC(N(Cc3cccnc3)CC(C)C)C2)cn1
InChIInChI=1S/C18H27N5O2S/c1-4-22-14-18(9-20-22)26(24,25)23-12-17(13-23)21(10-15(2)3)11-16-6-5-7-19-8-16/h5-9,14-15,17H,4,10-13H2,1-3H3
InChIKeyJLRJQMFHXMADFS-UHFFFAOYSA-N
XLogP1.83
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4,5-Trimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355560
4-(4-Butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355561
1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
[1-(1-Methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705154
2-[2-(1-Methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine
CID 118937507
2-((2,4-dimethyl-6-(trifluoromethyl)pyridin-3-yl)sulfonyl)-6-((1-methyl-1H-pyrazol-3-yl)methyl)-2,6-diazaspiro[3.3]heptane
CID 176276622
1-(1-Benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 51099645
N-cyclopentyl-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)pyridine-3-sulfonamide
CID 86266606
N-[(2S,3R)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97392092
N-[3-[5-[[2-aminoethyl(methyl)amino]methyl]-3-pyridinyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 172447903
1-methyl-N-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-pyridinyl]phenyl]pyrazole-4-sulfonamide
CID 172466230

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine (CID 91913629) is 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine is CCn1cc(S(=O)(=O)N2CC(N(Cc3cccnc3)CC(C)C)C2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine?
The InChIKey is JLRJQMFHXMADFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-4-22-14-18(9-20-22)26(24,25)23-12-17(13-23)21(10-15(2)3)11-16-6-5-7-19-8-16/h5-9,14-15,17H,4,10-13H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine?
1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine has a molecular weight of 377.51 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 91913629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).