(2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C20H30N4O — CID 97102243

IUPAC(2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc([C@@](C)(O)CN[C@H]2CN(Cc3ccccc3)C(C)(C)C2)cn1
InChIInChI=1S/C20H30N4O/c1-19(2)10-18(14-24(19)12-16-8-6-5-7-9-16)21-15-20(3,25)17-11-22-23(4)13-17/h5-9,11,13,18,21,25H,10,12,14-15H2,1-4H3/t18-,20+/m1/s1
InChIKeyAMBCOUFUCWYWJU-QUCCMNQESA-N
MW342.49 g/mol
LogP2.27
Rot. Bonds6

About (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

(2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 97102243) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID97102243
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc([C@@](C)(O)CN[C@H]2CN(Cc3ccccc3)C(C)(C)C2)cn1
InChIInChI=1S/C20H30N4O/c1-19(2)10-18(14-24(19)12-16-8-6-5-7-9-16)21-15-20(3,25)17-11-22-23(4)13-17/h5-9,11,13,18,21,25H,10,12,14-15H2,1-4H3/t18-,20+/m1/s1
InChIKeyAMBCOUFUCWYWJU-QUCCMNQESA-N
XLogP2.27
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 97102243) is (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc([C@@](C)(O)CN[C@H]2CN(Cc3ccccc3)C(C)(C)C2)cn1.
What is the InChIKey of (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is AMBCOUFUCWYWJU-QUCCMNQESA-N. The full InChI is InChI=1S/C20H30N4O/c1-19(2)10-18(14-24(19)12-16-8-6-5-7-9-16)21-15-20(3,25)17-11-22-23(4)13-17/h5-9,11,13,18,21,25H,10,12,14-15H2,1-4H3/t18-,20+/m1/s1.
What are the key properties of (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
(2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 342.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 97102243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).