(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C11H19N3O — CID 111123110

IUPAC(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1CN1CC[C@H](O)C1
InChIInChI=1S/C11H19N3O/c1-8-11(9(2)13(3)12-8)7-14-5-4-10(15)6-14/h10,15H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyIJASTZFFCNZPQM-JTQLQIEISA-N
MW209.29 g/mol
LogP0.60
Rot. Bonds2

About (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol

(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 111123110) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID111123110
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1CN1CC[C@H](O)C1
InChIInChI=1S/C11H19N3O/c1-8-11(9(2)13(3)12-8)7-14-5-4-10(15)6-14/h10,15H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyIJASTZFFCNZPQM-JTQLQIEISA-N
XLogP0.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 62207914
3-imidazol-1-yl-4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine
CID 75514660
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
N-cyclopropyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 79238625
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
CID 155139116
ethyl (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42574885

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 111123110) is (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol is Cc1nn(C)c(C)c1CN1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is IJASTZFFCNZPQM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-11(9(2)13(3)12-8)7-14-5-4-10(15)6-14/h10,15H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 209.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 111123110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).