1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one

C14H24N4O — CID 28654807

IUPAC1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one
SMILESCc1nn(C)c(C)c1CNCCC(=O)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-11-13(12(2)17(3)16-11)10-15-7-6-14(19)18-8-4-5-9-18/h15H,4-10H2,1-3H3
InChIKeyGHEGOEXGPQYNAQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.14
Rot. Bonds5

About 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one

1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one (PubChem CID 28654807) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one
PubChem CID28654807
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one
SMILESCc1nn(C)c(C)c1CNCCC(=O)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-11-13(12(2)17(3)16-11)10-15-7-6-14(19)18-8-4-5-9-18/h15H,4-10H2,1-3H3
InChIKeyGHEGOEXGPQYNAQ-UHFFFAOYSA-N
XLogP1.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49786572
N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 56779611
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-piperidinedicarboxamide
CID 70749819
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72880570
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 72880259
2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049228
3-[[5-Chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 8025000
3-(Butan-2-YL)-1-[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]urea
CID 20964098

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one (CID 28654807) is 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one is Cc1nn(C)c(C)c1CNCCC(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one?
The InChIKey is GHEGOEXGPQYNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-13(12(2)17(3)16-11)10-15-7-6-14(19)18-8-4-5-9-18/h15H,4-10H2,1-3H3.
What are the key properties of 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one?
1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one is sourced from PubChem (CID 28654807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).