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

C15H21N5O2S — CID 91903879

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
SMILESCCn1cc(S(=O)(=O)N2CC(N(C)Cc3cccnc3)C2)cn1
InChIInChI=1S/C15H21N5O2S/c1-3-19-12-15(8-17-19)23(21,22)20-10-14(11-20)18(2)9-13-5-4-6-16-7-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyDXDMUNQYHCLYSW-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.80
Rot. Bonds6

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

1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine (PubChem CID 91903879) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
PubChem CID91903879
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
SMILESCCn1cc(S(=O)(=O)N2CC(N(C)Cc3cccnc3)C2)cn1
InChIInChI=1S/C15H21N5O2S/c1-3-19-12-15(8-17-19)23(21,22)20-10-14(11-20)18(2)9-13-5-4-6-16-7-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyDXDMUNQYHCLYSW-UHFFFAOYSA-N
XLogP0.80
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-Diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73349517
4-(3,5-Dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73351066
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
2-[2-(Benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine
CID 2806210
1-(1-Benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 51099645
4-[2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]pyridine
CID 53617373

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine (CID 91903879) is 1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine is CCn1cc(S(=O)(=O)N2CC(N(C)Cc3cccnc3)C2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine?
The InChIKey is DXDMUNQYHCLYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-19-12-15(8-17-19)23(21,22)20-10-14(11-20)18(2)9-13-5-4-6-16-7-13/h4-8,12,14H,3,9-11H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine?
1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine has a molecular weight of 335.43 g/mol, XLogP of 0.80, 6 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-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 91903879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).