3-amino-4-iodo-1H-pyrazole-5-carbonitrile

C4H3IN4 — CID 171157540

IUPAC3-amino-4-iodo-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]nc(N)c1I
InChIInChI=1S/C4H3IN4/c5-3-2(1-6)8-9-4(3)7/h(H3,7,8,9)
InChIKeyBQRQXXXRBLJGEV-UHFFFAOYSA-N
MW234.00 g/mol
LogP0.47
Rot. Bonds

About 3-amino-4-iodo-1H-pyrazole-5-carbonitrile

3-amino-4-iodo-1H-pyrazole-5-carbonitrile (PubChem CID 171157540) has the molecular formula C4H3IN4 and a molecular weight of 234.00 g/mol. Its IUPAC name is 3-amino-4-iodo-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-amino-4-iodo-1H-pyrazole-5-carbonitrile
PubChem CID171157540
Molecular FormulaC4H3IN4
Molecular Weight234.00 g/mol
Exact Mass233.94
IUPAC Name3-amino-4-iodo-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]nc(N)c1I
InChIInChI=1S/C4H3IN4/c5-3-2(1-6)8-9-4(3)7/h(H3,7,8,9)
InChIKeyBQRQXXXRBLJGEV-UHFFFAOYSA-N
XLogP0.47
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.00
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1H-pyrazole-4,5-dicarbonitrile
CID 338830
5-Amino-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 85519445
4-Iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 91666192
4-Iodo-5-methyl-1H-pyrazol-3-amine
CID 12831627
3-amino-4-isocyano-1H-pyrazole-5-carbonitrile
CID 59242679
5-Amino-4-bromo-1H-pyrazole-3-carbonitrile
CID 141578604
1,5-Diaminopyrazole-3,4-dicarbonitrile
CID 55289853
3-amino-5-(2-cyanoethynyl)-1H-pyrazole-4-carbonitrile
CID 169526676

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-iodo-1H-pyrazole-5-carbonitrile?
The IUPAC name of 3-amino-4-iodo-1H-pyrazole-5-carbonitrile (CID 171157540) is 3-amino-4-iodo-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 3-amino-4-iodo-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 3-amino-4-iodo-1H-pyrazole-5-carbonitrile is N#Cc1[nH]nc(N)c1I.
What is the InChIKey of 3-amino-4-iodo-1H-pyrazole-5-carbonitrile?
The InChIKey is BQRQXXXRBLJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IN4/c5-3-2(1-6)8-9-4(3)7/h(H3,7,8,9).
What are the key properties of 3-amino-4-iodo-1H-pyrazole-5-carbonitrile?
3-amino-4-iodo-1H-pyrazole-5-carbonitrile has a molecular weight of 234.00 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-iodo-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 171157540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).