[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C12H13N5O — CID 95841727

IUPAC[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C12H13N5O/c18-12(9-3-4-15-16-9)17-7-1-2-11(17)10-8-13-5-6-14-10/h3-6,8,11H,1-2,7H2,(H,15,16)/t11-/m0/s1
InChIKeyBXKCZCNIUSATKU-NSHDSACASA-N
MW243.27 g/mol
LogP1.18
Rot. Bonds2

About [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 95841727) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID95841727
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C12H13N5O/c18-12(9-3-4-15-16-9)17-7-1-2-11(17)10-8-13-5-6-14-10/h3-6,8,11H,1-2,7H2,(H,15,16)/t11-/m0/s1
InChIKeyBXKCZCNIUSATKU-NSHDSACASA-N
XLogP1.18
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 95841727) is [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCC[C@H]1c1cnccn1.
What is the InChIKey of [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is BXKCZCNIUSATKU-NSHDSACASA-N. The full InChI is InChI=1S/C12H13N5O/c18-12(9-3-4-15-16-9)17-7-1-2-11(17)10-8-13-5-6-14-10/h3-6,8,11H,1-2,7H2,(H,15,16)/t11-/m0/s1.
What are the key properties of [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 243.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95841727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).