1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole

C9H15N3O — CID 104939864

IUPAC1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
SMILESCCn1cc(O[C@H]2CCNC2)cn1
InChIInChI=1S/C9H15N3O/c1-2-12-7-9(6-11-12)13-8-3-4-10-5-8/h6-8,10H,2-5H2,1H3/t8-/m0/s1
InChIKeyOSXXWEUANRGXKF-QMMMGPOBSA-N
MW181.24 g/mol
LogP0.64
Rot. Bonds3

About 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole

1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole (PubChem CID 104939864) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
PubChem CID104939864
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
SMILESCCn1cc(O[C@H]2CCNC2)cn1
InChIInChI=1S/C9H15N3O/c1-2-12-7-9(6-11-12)13-8-3-4-10-5-8/h6-8,10H,2-5H2,1H3/t8-/m0/s1
InChIKeyOSXXWEUANRGXKF-QMMMGPOBSA-N
XLogP0.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole 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

1-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]oxypyrazole
CID 104939867
1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
CID 104939868
1-cyclopentyl-4-pyrrolidin-3-yloxypyrazole
CID 117233802
4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine
CID 174287924
4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole
CID 164885760
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104
4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol
CID 114608497
4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride
CID 164576545
3-(4-methylphenoxy)pyrrolidine
CID 18337173
3-(3,5-dimethylphenoxy)pyrrolidine;hydrochloride
CID 46735722
3-(1-propylpyrazol-4-yl)oxy-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314416
2-methyl-5-pyrrolidin-3-yloxypyridine;dihydrochloride
CID 86775669

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole?
The IUPAC name of 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole (CID 104939864) is 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole.
What is the SMILES notation for 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole?
The canonical SMILES for 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole is CCn1cc(O[C@H]2CCNC2)cn1.
What is the InChIKey of 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole?
The InChIKey is OSXXWEUANRGXKF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-7-9(6-11-12)13-8-3-4-10-5-8/h6-8,10H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole?
1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole has a molecular weight of 181.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole is sourced from PubChem (CID 104939864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).