N-iodo-N-phenyl-1H-pyrazole-5-carboxamide

C10H8IN3O — CID 141098926

IUPACN-iodo-N-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(I)c1ccccc1
InChIInChI=1S/C10H8IN3O/c11-14(8-4-2-1-3-5-8)10(15)9-6-7-12-13-9/h1-7H,(H,12,13)
InChIKeyFSZSVSJXYHGBRP-UHFFFAOYSA-N
MW313.10 g/mol
LogP2.41
Rot. Bonds2

About N-iodo-N-phenyl-1H-pyrazole-5-carboxamide

N-iodo-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 141098926) has the molecular formula C10H8IN3O and a molecular weight of 313.10 g/mol. Its IUPAC name is N-iodo-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-iodo-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID141098926
Molecular FormulaC10H8IN3O
Molecular Weight313.10 g/mol
Exact Mass312.97
IUPAC NameN-iodo-N-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(I)c1ccccc1
InChIInChI=1S/C10H8IN3O/c11-14(8-4-2-1-3-5-8)10(15)9-6-7-12-13-9/h1-7H,(H,12,13)
InChIKeyFSZSVSJXYHGBRP-UHFFFAOYSA-N
XLogP2.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-iodo-N-phenyl-1H-pyrazole-5-carboxamide (CID 141098926) is N-iodo-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-iodo-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-iodo-N-phenyl-1H-pyrazole-5-carboxamide is O=C(c1ccn[nH]1)N(I)c1ccccc1.
What is the InChIKey of N-iodo-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is FSZSVSJXYHGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O/c11-14(8-4-2-1-3-5-8)10(15)9-6-7-12-13-9/h1-7H,(H,12,13).
What are the key properties of N-iodo-N-phenyl-1H-pyrazole-5-carboxamide?
N-iodo-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 313.10 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141098926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).