(3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol

C12H21N3O — CID 66291557

IUPAC(3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCCc1cc(CN2CC[C@@H](O)C2)n(CC)n1
InChIInChI=1S/C12H21N3O/c1-3-10-7-11(15(4-2)13-10)8-14-6-5-12(16)9-14/h7,12,16H,3-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyGBHNKUXOPWVDQI-GFCCVEGCSA-N
MW223.32 g/mol
LogP1.03
Rot. Bonds4

About (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol

(3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 66291557) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID66291557
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCCc1cc(CN2CC[C@@H](O)C2)n(CC)n1
InChIInChI=1S/C12H21N3O/c1-3-10-7-11(15(4-2)13-10)8-14-6-5-12(16)9-14/h7,12,16H,3-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyGBHNKUXOPWVDQI-GFCCVEGCSA-N
XLogP1.03
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol (CID 66291557) is (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol is CCc1cc(CN2CC[C@@H](O)C2)n(CC)n1.
What is the InChIKey of (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is GBHNKUXOPWVDQI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-10-7-11(15(4-2)13-10)8-14-6-5-12(16)9-14/h7,12,16H,3-6,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol?
(3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66291557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).