N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide

C11H19N3O — CID 1247509

IUPACN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
SMILESCCCC(=O)N[C@@H](C)c1cnn(C)c1C
InChIInChI=1S/C11H19N3O/c1-5-6-11(15)13-8(2)10-7-12-14(4)9(10)3/h7-8H,5-6H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeyUPUXDUWQFDLOQU-QMMMGPOBSA-N
MW209.29 g/mol
LogP1.71
Rot. Bonds4

About N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide (PubChem CID 1247509) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
PubChem CID1247509
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
SMILESCCCC(=O)N[C@@H](C)c1cnn(C)c1C
InChIInChI=1S/C11H19N3O/c1-5-6-11(15)13-8(2)10-7-12-14(4)9(10)3/h7-8H,5-6H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKeyUPUXDUWQFDLOQU-QMMMGPOBSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 124755441
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 19468867
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-oxo-4-pyren-1-ylbutanamide
CID 95735054
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
N-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51114201
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47025846

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
The IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide (CID 1247509) is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide.
What is the SMILES notation for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
The canonical SMILES for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide is CCCC(=O)N[C@@H](C)c1cnn(C)c1C.
What is the InChIKey of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
The InChIKey is UPUXDUWQFDLOQU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-6-11(15)13-8(2)10-7-12-14(4)9(10)3/h7-8H,5-6H2,1-4H3,(H,13,15)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 1247509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).