N-[1-(1H-pyrazol-4-yl)ethyl]butanamide

C9H15N3O — CID 103856506

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-3-4-9(13)12-7(2)8-5-10-11-6-8/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyHVEGTOCZWKXTSU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.39
Rot. Bonds4

About N-[1-(1H-pyrazol-4-yl)ethyl]butanamide

N-[1-(1H-pyrazol-4-yl)ethyl]butanamide (PubChem CID 103856506) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]butanamide
PubChem CID103856506
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-3-4-9(13)12-7(2)8-5-10-11-6-8/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyHVEGTOCZWKXTSU-UHFFFAOYSA-N
XLogP1.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856287
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
3-(cyclopropylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212808
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173
3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 106212730
3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855886
3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855945
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212884
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 103855789

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]butanamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]butanamide (CID 103856506) is N-[1-(1H-pyrazol-4-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]butanamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]butanamide is CCCC(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]butanamide?
The InChIKey is HVEGTOCZWKXTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-9(13)12-7(2)8-5-10-11-6-8/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]butanamide?
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide has a molecular weight of 181.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 103856506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).