3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide

C16H24N4O — CID 155248178

IUPAC3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1C#CC1CCCCCCCCC1
InChIInChI=1S/C16H24N4O/c17-15-14(16(18)21)13(19-20-15)11-10-12-8-6-4-2-1-3-5-7-9-12/h12H,1-9H2,(H2,18,21)(H3,17,19,20)
InChIKeyCWIPFBRUPJPKNC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.58
Rot. Bonds1

About 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide

3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide (PubChem CID 155248178) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide
PubChem CID155248178
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1C#CC1CCCCCCCCC1
InChIInChI=1S/C16H24N4O/c17-15-14(16(18)21)13(19-20-15)11-10-12-8-6-4-2-1-3-5-7-9-12/h12H,1-9H2,(H2,18,21)(H3,17,19,20)
InChIKeyCWIPFBRUPJPKNC-UHFFFAOYSA-N
XLogP2.58
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide (CID 155248178) is 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide is NC(=O)c1c(N)n[nH]c1C#CC1CCCCCCCCC1.
What is the InChIKey of 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CWIPFBRUPJPKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-15-14(16(18)21)13(19-20-15)11-10-12-8-6-4-2-1-3-5-7-9-12/h12H,1-9H2,(H2,18,21)(H3,17,19,20).
What are the key properties of 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide?
3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155248178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).