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

C14H21N5O — CID 125255385

IUPAC(2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(C[C@@H]2[C@H](O)CCN2Cc2nccn2C)cn1
InChIInChI=1S/C14H21N5O/c1-17-6-4-15-14(17)10-19-5-3-13(20)12(19)7-11-8-16-18(2)9-11/h4,6,8-9,12-13,20H,3,5,7,10H2,1-2H3/t12-,13-/m1/s1
InChIKeyCNOSTLPDWWUYAZ-CHWSQXEVSA-N
MW275.36 g/mol
LogP0.33
Rot. Bonds4

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

(2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 125255385) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID125255385
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(C[C@@H]2[C@H](O)CCN2Cc2nccn2C)cn1
InChIInChI=1S/C14H21N5O/c1-17-6-4-15-14(17)10-19-5-3-13(20)12(19)7-11-8-16-18(2)9-11/h4,6,8-9,12-13,20H,3,5,7,10H2,1-2H3/t12-,13-/m1/s1
InChIKeyCNOSTLPDWWUYAZ-CHWSQXEVSA-N
XLogP0.33
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 125255385) is (2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is Cn1cc(C[C@@H]2[C@H](O)CCN2Cc2nccn2C)cn1.
What is the InChIKey of (2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is CNOSTLPDWWUYAZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17-6-4-15-14(17)10-19-5-3-13(20)12(19)7-11-8-16-18(2)9-11/h4,6,8-9,12-13,20H,3,5,7,10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
(2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 275.36 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 125255385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).