4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide

C12H18N4O — CID 114201947

IUPAC4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide
SMILESC#CC(NC(=O)c1c(N)cnn1CC)C(C)C
InChIInChI=1S/C12H18N4O/c1-5-10(8(3)4)15-12(17)11-9(13)7-14-16(11)6-2/h1,7-8,10H,6,13H2,2-4H3,(H,15,17)
InChIKeyBFCCYYFINZNMBS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.87
Rot. Bonds4

About 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide

4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide (PubChem CID 114201947) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide
PubChem CID114201947
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide
SMILESC#CC(NC(=O)c1c(N)cnn1CC)C(C)C
InChIInChI=1S/C12H18N4O/c1-5-10(8(3)4)15-12(17)11-9(13)7-14-16(11)6-2/h1,7-8,10H,6,13H2,2-4H3,(H,15,17)
InChIKeyBFCCYYFINZNMBS-UHFFFAOYSA-N
XLogP0.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide (CID 114201947) is 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide is C#CC(NC(=O)c1c(N)cnn1CC)C(C)C.
What is the InChIKey of 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide?
The InChIKey is BFCCYYFINZNMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-5-10(8(3)4)15-12(17)11-9(13)7-14-16(11)6-2/h1,7-8,10H,6,13H2,2-4H3,(H,15,17).
What are the key properties of 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 114201947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).