N-butyl-2-(4-methylpyrazol-1-yl)acetamide

C10H17N3O — CID 19526650

IUPACN-butyl-2-(4-methylpyrazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1cc(C)cn1
InChIInChI=1S/C10H17N3O/c1-3-4-5-11-10(14)8-13-7-9(2)6-12-13/h6-7H,3-5,8H2,1-2H3,(H,11,14)
InChIKeyMZPFSCDXVUKPAH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.11
Rot. Bonds5

About N-butyl-2-(4-methylpyrazol-1-yl)acetamide

N-butyl-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 19526650) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-butyl-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID19526650
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-butyl-2-(4-methylpyrazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1cc(C)cn1
InChIInChI=1S/C10H17N3O/c1-3-4-5-11-10(14)8-13-7-9(2)6-12-13/h6-7H,3-5,8H2,1-2H3,(H,11,14)
InChIKeyMZPFSCDXVUKPAH-UHFFFAOYSA-N
XLogP1.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
1-butyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea
CID 4163821
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526458
1-butyl-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111761388
ethyl 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107345027
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345403
2-(5-methyl-4-nitropyrazol-1-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328071

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(4-methylpyrazol-1-yl)acetamide (CID 19526650) is N-butyl-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-methylpyrazol-1-yl)acetamide is CCCCNC(=O)Cn1cc(C)cn1.
What is the InChIKey of N-butyl-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is MZPFSCDXVUKPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-5-11-10(14)8-13-7-9(2)6-12-13/h6-7H,3-5,8H2,1-2H3,(H,11,14).
What are the key properties of N-butyl-2-(4-methylpyrazol-1-yl)acetamide?
N-butyl-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 195.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19526650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).