5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide

C7H7IN4O — CID 166809316

IUPAC5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide
SMILESCC#Cc1nn(I)c(N)c1C(N)=O
InChIInChI=1S/C7H7IN4O/c1-2-3-4-5(7(10)13)6(9)12(8)11-4/h9H2,1H3,(H2,10,13)
InChIKeyCKKBMJIZHNLDNR-UHFFFAOYSA-N
MW290.06 g/mol
LogP0.13
Rot. Bonds1

About 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide

5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide (PubChem CID 166809316) has the molecular formula C7H7IN4O and a molecular weight of 290.06 g/mol. Its IUPAC name is 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide
PubChem CID166809316
Molecular FormulaC7H7IN4O
Molecular Weight290.06 g/mol
Exact Mass289.97
IUPAC Name5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide
SMILESCC#Cc1nn(I)c(N)c1C(N)=O
InChIInChI=1S/C7H7IN4O/c1-2-3-4-5(7(10)13)6(9)12(8)11-4/h9H2,1H3,(H2,10,13)
InChIKeyCKKBMJIZHNLDNR-UHFFFAOYSA-N
XLogP0.13
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.06
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-methyl-1H-pyrazole-4-carboxamide
CID 358965
5-hydrazino-3-methyl-1H-pyrazole-4-carbohydrazide
CID 1201368
(5-Amino-4-carbamoyl-3-methylpyrazol-1-yl) propanoate
CID 124107822
1,5-Diamino-3-methylpyrazole-4-carbaldehyde
CID 143305890
5-Amino-3-(2-cyclodecylethynyl)-1-iodopyrazole-4-carboxamide
CID 155248180
5-Amino-3-(2-cyclononylethynyl)-1-iodopyrazole-4-carboxamide
CID 155248424
3-amino-5-ethynyl-1H-pyrazole-4-carboxamide
CID 168927539
5-Amino-3-[2-(cyclooctatetraenyl)ethynyl]-1-iodopyrazole-4-carboxamide
CID 173815985
3-amino-5-methyl-1H-pyrazole-4-carbohydrazide
CID 66490345

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide (CID 166809316) is 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide is CC#Cc1nn(I)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide?
The InChIKey is CKKBMJIZHNLDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN4O/c1-2-3-4-5(7(10)13)6(9)12(8)11-4/h9H2,1H3,(H2,10,13).
What are the key properties of 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide?
5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide has a molecular weight of 290.06 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide is sourced from PubChem (CID 166809316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).