N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C15H24N4O3 — CID 124755565

IUPACN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOC[C@H](NC(=O)CCCN1CCCC1=O)c1ccnn1C
InChIInChI=1S/C15H24N4O3/c1-18-13(7-8-16-18)12(11-22-2)17-14(20)5-3-9-19-10-4-6-15(19)21/h7-8,12H,3-6,9-11H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyQSLYEZWJYWVQBQ-LBPRGKRZSA-N
MW308.38 g/mol
LogP0.63
Rot. Bonds8

About N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 124755565) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID124755565
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOC[C@H](NC(=O)CCCN1CCCC1=O)c1ccnn1C
InChIInChI=1S/C15H24N4O3/c1-18-13(7-8-16-18)12(11-22-2)17-14(20)5-3-9-19-10-4-6-15(19)21/h7-8,12H,3-6,9-11H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyQSLYEZWJYWVQBQ-LBPRGKRZSA-N
XLogP0.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 124755565) is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is COC[C@H](NC(=O)CCCN1CCCC1=O)c1ccnn1C.
What is the InChIKey of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is QSLYEZWJYWVQBQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-18-13(7-8-16-18)12(11-22-2)17-14(20)5-3-9-19-10-4-6-15(19)21/h7-8,12H,3-6,9-11H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 308.38 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 124755565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).