N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide

C18H24N4O2 — CID 75392736

IUPACN-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CC(O)CN2Cc2ccccc2)n(C)n1
InChIInChI=1S/C18H24N4O2/c1-13-8-17(21(2)20-13)18(24)19-10-15-9-16(23)12-22(15)11-14-6-4-3-5-7-14/h3-8,15-16,23H,9-12H2,1-2H3,(H,19,24)
InChIKeyVYEUDZQWMJJRLJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.09
Rot. Bonds5

About N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 75392736) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID75392736
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CC(O)CN2Cc2ccccc2)n(C)n1
InChIInChI=1S/C18H24N4O2/c1-13-8-17(21(2)20-13)18(24)19-10-15-9-16(23)12-22(15)11-14-6-4-3-5-7-14/h3-8,15-16,23H,9-12H2,1-2H3,(H,19,24)
InChIKeyVYEUDZQWMJJRLJ-UHFFFAOYSA-N
XLogP1.09
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 75392736) is N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CC(O)CN2Cc2ccccc2)n(C)n1.
What is the InChIKey of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is VYEUDZQWMJJRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-8-17(21(2)20-13)18(24)19-10-15-9-16(23)12-22(15)11-14-6-4-3-5-7-14/h3-8,15-16,23H,9-12H2,1-2H3,(H,19,24).
What are the key properties of N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 75392736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).