N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide

C10H6ClFIN3O — CID 122185519

IUPACN-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1I
InChIInChI=1S/C10H6ClFIN3O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,(H,14,16)(H,15,17)
InChIKeyDGMURFGKKPBKAR-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.06
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide

N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide (PubChem CID 122185519) has the molecular formula C10H6ClFIN3O and a molecular weight of 365.53 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide
PubChem CID122185519
Molecular FormulaC10H6ClFIN3O
Molecular Weight365.53 g/mol
Exact Mass364.92
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1I
InChIInChI=1S/C10H6ClFIN3O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,(H,14,16)(H,15,17)
InChIKeyDGMURFGKKPBKAR-UHFFFAOYSA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide (CID 122185519) is N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1I.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide?
The InChIKey is DGMURFGKKPBKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFIN3O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,(H,14,16)(H,15,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide has a molecular weight of 365.53 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122185519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).