1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine

C10H18N4O3S — CID 62986717

IUPAC1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCCOCC2)c(N)n1
InChIInChI=1S/C10H18N4O3S/c1-2-13-8-9(10(11)12-13)18(15,16)14-4-3-6-17-7-5-14/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyOMGDFTRSIUWLRM-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.10
Rot. Bonds3

About 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine

1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine (PubChem CID 62986717) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine
PubChem CID62986717
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCCOCC2)c(N)n1
InChIInChI=1S/C10H18N4O3S/c1-2-13-8-9(10(11)12-13)18(15,16)14-4-3-6-17-7-5-14/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyOMGDFTRSIUWLRM-UHFFFAOYSA-N
XLogP-0.10
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 61138398
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-1-ethylpyrazol-3-amine
CID 65318955
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
CID 63168177
1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine
CID 61170930
1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine
CID 63605060
1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine
CID 64569008
2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol
CID 82012417
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 60814183
3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 83012354
3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
3-amino-1-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide
CID 61114804

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine?
The IUPAC name of 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine (CID 62986717) is 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine?
The canonical SMILES for 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine is CCn1cc(S(=O)(=O)N2CCCOCC2)c(N)n1.
What is the InChIKey of 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine?
The InChIKey is OMGDFTRSIUWLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-2-13-8-9(10(11)12-13)18(15,16)14-4-3-6-17-7-5-14/h8H,2-7H2,1H3,(H2,11,12).
What are the key properties of 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine?
1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine has a molecular weight of 274.35 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine is sourced from PubChem (CID 62986717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).