1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one

C8H11IN2O — CID 174646384

IUPAC1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1cn(CC)nc1I
InChIInChI=1S/C8H11IN2O/c1-3-7(12)6-5-11(4-2)10-8(6)9/h5H,3-4H2,1-2H3
InChIKeyIVNFQJNBCOAFCT-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.10
Rot. Bonds3

About 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one

1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one (PubChem CID 174646384) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one
PubChem CID174646384
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1cn(CC)nc1I
InChIInChI=1S/C8H11IN2O/c1-3-7(12)6-5-11(4-2)10-8(6)9/h5H,3-4H2,1-2H3
InChIKeyIVNFQJNBCOAFCT-UHFFFAOYSA-N
XLogP2.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide
CID 146680522
3-acetyl-1-ethylpyrazole-4-carboxylic acid
CID 82407978
ethyl 1-(cyclopropylmethyl)-3-iodopyrazole-4-carboxylate
CID 153484158
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
1-(1-ethyl-3-methylpyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione
CID 19585914
3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide
CID 170256746
methyl 2-(1-ethyl-3-methylpyrazol-4-yl)-2-oxoacetate
CID 112616484
1-ethyl-3,4-dimethylpyrazole
CID 23556587
2-(3-iodo-4-methylpyrazol-1-yl)acetic acid
CID 79787345
ethyl 3-iodo-1-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxylate
CID 122155131
1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one
CID 112713436
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one (CID 174646384) is 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one is CCC(=O)c1cn(CC)nc1I.
What is the InChIKey of 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one?
The InChIKey is IVNFQJNBCOAFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O/c1-3-7(12)6-5-11(4-2)10-8(6)9/h5H,3-4H2,1-2H3.
What are the key properties of 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one?
1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one has a molecular weight of 278.09 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one is sourced from PubChem (CID 174646384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).