N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide

C7H9FIN3O — CID 130622076

IUPACN-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide
SMILESCC(CF)NC(=O)c1[nH]ncc1I
InChIInChI=1S/C7H9FIN3O/c1-4(2-8)11-7(13)6-5(9)3-10-12-6/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyWWOOWDGMRWVPAV-UHFFFAOYSA-N
MW297.07 g/mol
LogP1.10
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide

N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide (PubChem CID 130622076) has the molecular formula C7H9FIN3O and a molecular weight of 297.07 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide
PubChem CID130622076
Molecular FormulaC7H9FIN3O
Molecular Weight297.07 g/mol
Exact Mass296.98
IUPAC NameN-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide
SMILESCC(CF)NC(=O)c1[nH]ncc1I
InChIInChI=1S/C7H9FIN3O/c1-4(2-8)11-7(13)6-5(9)3-10-12-6/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyWWOOWDGMRWVPAV-UHFFFAOYSA-N
XLogP1.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 51.10
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-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide (CID 130622076) is N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide is CC(CF)NC(=O)c1[nH]ncc1I.
What is the InChIKey of N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide?
The InChIKey is WWOOWDGMRWVPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FIN3O/c1-4(2-8)11-7(13)6-5(9)3-10-12-6/h3-4H,2H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide?
N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide has a molecular weight of 297.07 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 130622076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).