1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine

C13H24N4O3S — CID 61170930

IUPAC1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine
SMILESCCCOC1CCCN(S(=O)(=O)c2cn(CC)nc2N)C1
InChIInChI=1S/C13H24N4O3S/c1-3-8-20-11-6-5-7-17(9-11)21(18,19)12-10-16(4-2)15-13(12)14/h10-11H,3-9H2,1-2H3,(H2,14,15)
InChIKeyBPVQVHSGJJTTHC-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.06
Rot. Bonds6

About 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine

1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine (PubChem CID 61170930) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine
PubChem CID61170930
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine
SMILESCCCOC1CCCN(S(=O)(=O)c2cn(CC)nc2N)C1
InChIInChI=1S/C13H24N4O3S/c1-3-8-20-11-6-5-7-17(9-11)21(18,19)12-10-16(4-2)15-13(12)14/h10-11H,3-9H2,1-2H3,(H2,14,15)
InChIKeyBPVQVHSGJJTTHC-UHFFFAOYSA-N
XLogP1.06
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol
CID 82012417
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 62151741
1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine
CID 64569008
4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline
CID 61170931
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
CID 63168177
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-1-ethylpyrazol-3-amine
CID 65318955
1-(2-bromo-4-methylphenyl)sulfonyl-3-propoxypiperidine
CID 61169572
1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine
CID 63605060
1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine
CID 62986717
1-(bromomethylsulfonyl)-3-propoxypiperidine
CID 83086360
2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 61138398
1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 60814183

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine?
The IUPAC name of 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine (CID 61170930) is 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine is CCCOC1CCCN(S(=O)(=O)c2cn(CC)nc2N)C1.
What is the InChIKey of 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine?
The InChIKey is BPVQVHSGJJTTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-3-8-20-11-6-5-7-17(9-11)21(18,19)12-10-16(4-2)15-13(12)14/h10-11H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine?
1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine has a molecular weight of 316.43 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 61170930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).