(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol

C16H22N4O — CID 97470239

IUPAC(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol
SMILESCc1cccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)n1
InChIInChI=1S/C16H22N4O/c1-12-4-3-5-14(18-12)11-20-7-6-16(21)15(20)8-13-9-17-19(2)10-13/h3-5,9-10,15-16,21H,6-8,11H2,1-2H3/t15-,16+/m0/s1
InChIKeyAWAJNYBJOQQHLT-JKSUJKDBSA-N
MW286.38 g/mol
LogP1.30
Rot. Bonds4

About (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol

(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol (PubChem CID 97470239) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol
PubChem CID97470239
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol
SMILESCc1cccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)n1
InChIInChI=1S/C16H22N4O/c1-12-4-3-5-14(18-12)11-20-7-6-16(21)15(20)8-13-9-17-19(2)10-13/h3-5,9-10,15-16,21H,6-8,11H2,1-2H3/t15-,16+/m0/s1
InChIKeyAWAJNYBJOQQHLT-JKSUJKDBSA-N
XLogP1.30
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol (CID 97470239) is (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol is Cc1cccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)n1.
What is the InChIKey of (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol?
The InChIKey is AWAJNYBJOQQHLT-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-4-3-5-14(18-12)11-20-7-6-16(21)15(20)8-13-9-17-19(2)10-13/h3-5,9-10,15-16,21H,6-8,11H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol?
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol has a molecular weight of 286.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 97470239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).