N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide

C11H17N3O — CID 166376449

IUPACN-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide
SMILESC=Cc1cnn(C)c1C(=O)NCCCC
InChIInChI=1S/C11H17N3O/c1-4-6-7-12-11(15)10-9(5-2)8-13-14(10)3/h5,8H,2,4,6-7H2,1,3H3,(H,12,15)
InChIKeyOLGJMPBAVUJSPU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.59
Rot. Bonds5

About N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide

N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide (PubChem CID 166376449) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide
PubChem CID166376449
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide
SMILESC=Cc1cnn(C)c1C(=O)NCCCC
InChIInChI=1S/C11H17N3O/c1-4-6-7-12-11(15)10-9(5-2)8-13-14(10)3/h5,8H,2,4,6-7H2,1,3H3,(H,12,15)
InChIKeyOLGJMPBAVUJSPU-UHFFFAOYSA-N
XLogP1.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.59
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

5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
4-amino-N-butyl-1-propylpyrazole-5-carboxamide
CID 132586632
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19623815
N-butyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480862
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
CID 132586606
4-(cyclopropanecarbonylamino)-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396172
N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide
CID 171676419
N-butyl-5-ethenylnaphthalene-2-carboxamide
CID 171396737
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide
CID 19475156
N-butyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 3945848
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide (CID 166376449) is N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide is C=Cc1cnn(C)c1C(=O)NCCCC.
What is the InChIKey of N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide?
The InChIKey is OLGJMPBAVUJSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-6-7-12-11(15)10-9(5-2)8-13-14(10)3/h5,8H,2,4,6-7H2,1,3H3,(H,12,15).
What are the key properties of N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide?
N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethenyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 166376449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).