[(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol

C13H23N3O2 — CID 154746812

IUPAC[(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol
SMILESCCn1cc(CCN2C[C@@H](OC)C[C@H]2CO)cn1
InChIInChI=1S/C13H23N3O2/c1-3-16-8-11(7-14-16)4-5-15-9-13(18-2)6-12(15)10-17/h7-8,12-13,17H,3-6,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyMWZOEDDMEVXZAS-STQMWFEESA-N
MW253.35 g/mol
LogP0.53
Rot. Bonds6

About [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol

[(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 154746812) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol
PubChem CID154746812
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol
SMILESCCn1cc(CCN2C[C@@H](OC)C[C@H]2CO)cn1
InChIInChI=1S/C13H23N3O2/c1-3-16-8-11(7-14-16)4-5-15-9-13(18-2)6-12(15)10-17/h7-8,12-13,17H,3-6,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyMWZOEDDMEVXZAS-STQMWFEESA-N
XLogP0.53
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol (CID 154746812) is [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol is CCn1cc(CCN2C[C@@H](OC)C[C@H]2CO)cn1.
What is the InChIKey of [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is MWZOEDDMEVXZAS-STQMWFEESA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-16-8-11(7-14-16)4-5-15-9-13(18-2)6-12(15)10-17/h7-8,12-13,17H,3-6,9-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 253.35 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 154746812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).