[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C8H11N3O2 — CID 79029409

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC[C@H](O)C1
InChIInChI=1S/C8H11N3O2/c12-6-2-4-11(5-6)8(13)7-1-3-9-10-7/h1,3,6,12H,2,4-5H2,(H,9,10)/t6-/m0/s1
InChIKeyKOEOXBUZJPJADN-LURJTMIESA-N
MW181.19 g/mol
LogP-0.38
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 79029409) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID79029409
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC[C@H](O)C1
InChIInChI=1S/C8H11N3O2/c12-6-2-4-11(5-6)8(13)7-1-3-9-10-7/h1,3,6,12H,2,4-5H2,(H,9,10)/t6-/m0/s1
InChIKeyKOEOXBUZJPJADN-LURJTMIESA-N
XLogP-0.38
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 79029409) is [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is KOEOXBUZJPJADN-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O2/c12-6-2-4-11(5-6)8(13)7-1-3-9-10-7/h1,3,6,12H,2,4-5H2,(H,9,10)/t6-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 79029409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).