N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide

C11H15N3O — CID 104919693

IUPACN-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESC#CC(C)NC(=O)c1cn(C)nc1CC
InChIInChI=1S/C11H15N3O/c1-5-8(3)12-11(15)9-7-14(4)13-10(9)6-2/h1,7-8H,6H2,2-4H3,(H,12,15)
InChIKeyPHSMSNKYJZUITR-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.73
Rot. Bonds3

About N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide

N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 104919693) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID104919693
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESC#CC(C)NC(=O)c1cn(C)nc1CC
InChIInChI=1S/C11H15N3O/c1-5-8(3)12-11(15)9-7-14(4)13-10(9)6-2/h1,7-8H,6H2,2-4H3,(H,12,15)
InChIKeyPHSMSNKYJZUITR-UHFFFAOYSA-N
XLogP0.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
3-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-1-methylpyrazole-4-carboxamide
CID 103894208
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
3-ethyl-1-methyl-N-(1-piperidin-4-ylethyl)pyrazole-4-carboxamide
CID 102810373
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide (CID 104919693) is N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide is C#CC(C)NC(=O)c1cn(C)nc1CC.
What is the InChIKey of N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is PHSMSNKYJZUITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-5-8(3)12-11(15)9-7-14(4)13-10(9)6-2/h1,7-8H,6H2,2-4H3,(H,12,15).
What are the key properties of N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide?
N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104919693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).