1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole

C9H15N3 — CID 42576398

IUPAC1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole
SMILESC[C@@H]([C@@H]1CCCN1)n1cccn1
InChIInChI=1S/C9H15N3/c1-8(9-4-2-5-10-9)12-7-3-6-11-12/h3,6-10H,2,4-5H2,1H3/t8-,9-/m0/s1
InChIKeyCLODHGSXYHKBIC-IUCAKERBSA-N
MW165.24 g/mol
LogP1.20
Rot. Bonds2

About 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole

1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole (PubChem CID 42576398) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole.

Molecular Properties

Compound Name1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole
PubChem CID42576398
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole
SMILESC[C@@H]([C@@H]1CCCN1)n1cccn1
InChIInChI=1S/C9H15N3/c1-8(9-4-2-5-10-9)12-7-3-6-11-12/h3,6-10H,2,4-5H2,1H3/t8-,9-/m0/s1
InChIKeyCLODHGSXYHKBIC-IUCAKERBSA-N
XLogP1.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61272490
N-cyclopropyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
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7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane
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CID 130787822
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
CID 62275068
2-(1-pyrazol-1-ylethyl)morpholine
CID 173013120
N-piperidin-3-yl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119424500
N-(piperidin-2-ylmethyl)-N-propyl-2-pyrazol-1-ylpropanamide
CID 106625660
1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
CID 130787739
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CID 159283951

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole?
The IUPAC name of 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole (CID 42576398) is 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole.
What is the SMILES notation for 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole?
The canonical SMILES for 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole is C[C@@H]([C@@H]1CCCN1)n1cccn1.
What is the InChIKey of 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole?
The InChIKey is CLODHGSXYHKBIC-IUCAKERBSA-N. The full InChI is InChI=1S/C9H15N3/c1-8(9-4-2-5-10-9)12-7-3-6-11-12/h3,6-10H,2,4-5H2,1H3/t8-,9-/m0/s1.
What are the key properties of 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole?
1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole has a molecular weight of 165.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(2S)-pyrrolidin-2-yl]ethyl]pyrazole is sourced from PubChem (CID 42576398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).