N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide

C11H17N3O2 — CID 80682207

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C11H17N3O2/c1-9(15)3-4-11(16)12-6-5-10-7-13-14(2)8-10/h7-8H,3-6H2,1-2H3,(H,12,16)
InChIKeyFLNISNCQYLPJAH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds6

About N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide (PubChem CID 80682207) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
PubChem CID80682207
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C11H17N3O2/c1-9(15)3-4-11(16)12-6-5-10-7-13-14(2)8-10/h7-8H,3-6H2,1-2H3,(H,12,16)
InChIKeyFLNISNCQYLPJAH-UHFFFAOYSA-N
XLogP0.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 80683092
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
CID 80683229
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032870
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924536

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide (CID 80682207) is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCc1cnn(C)c1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide?
The InChIKey is FLNISNCQYLPJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9(15)3-4-11(16)12-6-5-10-7-13-14(2)8-10/h7-8H,3-6H2,1-2H3,(H,12,16).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide has a molecular weight of 223.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide is sourced from PubChem (CID 80682207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).