2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide

C11H19N3O — CID 110731759

IUPAC2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1ccn[nH]1
InChIInChI=1S/C11H19N3O/c1-3-9(4-2)11(15)12-7-5-10-6-8-13-14-10/h6,8-9H,3-5,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXVOZYJAMANGWJM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.50
Rot. Bonds6

About 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide

2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide (PubChem CID 110731759) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
PubChem CID110731759
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1ccn[nH]1
InChIInChI=1S/C11H19N3O/c1-3-9(4-2)11(15)12-7-5-10-6-8-13-14-10/h6,8-9H,3-5,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXVOZYJAMANGWJM-UHFFFAOYSA-N
XLogP1.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731764
2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide
CID 110666460
4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731802
N-[2-(1H-pyrazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110745166
N-ethyl-2-(1H-pyrazol-5-yl)ethanamine
CID 57167438
2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 122562469
N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide
CID 111477485
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)propanamide
CID 170982015
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
(4R)-4-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pentanamide
CID 125441014
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 122558708

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide (CID 110731759) is 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide is CCC(CC)C(=O)NCCc1ccn[nH]1.
What is the InChIKey of 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide?
The InChIKey is XVOZYJAMANGWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9(4-2)11(15)12-7-5-10-6-8-13-14-10/h6,8-9H,3-5,7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide?
2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 110731759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).