N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide

C17H26N4O — CID 118776566

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide
SMILESCCCC(C(=O)NCc1c(C)nn(CC)c1C)n1cccc1
InChIInChI=1S/C17H26N4O/c1-5-9-16(20-10-7-8-11-20)17(22)18-12-15-13(3)19-21(6-2)14(15)4/h7-8,10-11,16H,5-6,9,12H2,1-4H3,(H,18,22)
InChIKeyYOZKJZXDEKGIBU-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.98
Rot. Bonds7

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide (PubChem CID 118776566) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide
PubChem CID118776566
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide
SMILESCCCC(C(=O)NCc1c(C)nn(CC)c1C)n1cccc1
InChIInChI=1S/C17H26N4O/c1-5-9-16(20-10-7-8-11-20)17(22)18-12-15-13(3)19-21(6-2)14(15)4/h7-8,10-11,16H,5-6,9,12H2,1-4H3,(H,18,22)
InChIKeyYOZKJZXDEKGIBU-UHFFFAOYSA-N
XLogP2.98
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide (CID 118776566) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide is CCCC(C(=O)NCc1c(C)nn(CC)c1C)n1cccc1.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide?
The InChIKey is YOZKJZXDEKGIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-5-9-16(20-10-7-8-11-20)17(22)18-12-15-13(3)19-21(6-2)14(15)4/h7-8,10-11,16H,5-6,9,12H2,1-4H3,(H,18,22).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide has a molecular weight of 302.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 118776566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).