1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol

C13H23N3O — CID 64777101

IUPAC1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCC(CC)n1ccc(CN2CCC(O)C2)n1
InChIInChI=1S/C13H23N3O/c1-3-12(4-2)16-8-5-11(14-16)9-15-7-6-13(17)10-15/h5,8,12-13,17H,3-4,6-7,9-10H2,1-2H3
InChIKeyWMAODSBBALPWTK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.81
Rot. Bonds5

About 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 64777101) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID64777101
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCC(CC)n1ccc(CN2CCC(O)C2)n1
InChIInChI=1S/C13H23N3O/c1-3-12(4-2)16-8-5-11(14-16)9-15-7-6-13(17)10-15/h5,8,12-13,17H,3-4,6-7,9-10H2,1-2H3
InChIKeyWMAODSBBALPWTK-UHFFFAOYSA-N
XLogP1.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 64779447
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64785595
8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 64777691
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114500471
2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64784051
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783458
3-[(3-bromopyrrolidin-1-yl)methyl]-1-butan-2-ylpyrazole
CID 80676536

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 64777101) is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol is CCC(CC)n1ccc(CN2CCC(O)C2)n1.
What is the InChIKey of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is WMAODSBBALPWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-12(4-2)16-8-5-11(14-16)9-15-7-6-13(17)10-15/h5,8,12-13,17H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 237.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 64777101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).