(3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol

C10H17N3O — CID 103882977

IUPAC(3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCn1nccc1CN1CC[C@H](O)C1
InChIInChI=1S/C10H17N3O/c1-2-13-9(3-5-11-13)7-12-6-4-10(14)8-12/h3,5,10,14H,2,4,6-8H2,1H3/t10-/m0/s1
InChIKeyISAMINIUPFTRSJ-JTQLQIEISA-N
MW195.27 g/mol
LogP0.47
Rot. Bonds3

About (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol

(3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 103882977) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID103882977
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCn1nccc1CN1CC[C@H](O)C1
InChIInChI=1S/C10H17N3O/c1-2-13-9(3-5-11-13)7-12-6-4-10(14)8-12/h3,5,10,14H,2,4,6-8H2,1H3/t10-/m0/s1
InChIKeyISAMINIUPFTRSJ-JTQLQIEISA-N
XLogP0.47
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 103882977) is (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol is CCn1nccc1CN1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is ISAMINIUPFTRSJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13-9(3-5-11-13)7-12-6-4-10(14)8-12/h3,5,10,14H,2,4,6-8H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
(3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 195.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103882977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).