(3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone

C10H11IN4O — CID 671788

IUPAC(3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone
SMILESCc1cc(C)n(C(=O)c2nn(C)cc2I)n1
InChIInChI=1S/C10H11IN4O/c1-6-4-7(2)15(12-6)10(16)9-8(11)5-14(3)13-9/h4-5H,1-3H3
InChIKeySJNLZOWWPDXWSW-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.53
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone

(3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone (PubChem CID 671788) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone
PubChem CID671788
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone
SMILESCc1cc(C)n(C(=O)c2nn(C)cc2I)n1
InChIInChI=1S/C10H11IN4O/c1-6-4-7(2)15(12-6)10(16)9-8(11)5-14(3)13-9/h4-5H,1-3H3
InChIKeySJNLZOWWPDXWSW-UHFFFAOYSA-N
XLogP1.53
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone (CID 671788) is (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone is Cc1cc(C)n(C(=O)c2nn(C)cc2I)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone?
The InChIKey is SJNLZOWWPDXWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-6-4-7(2)15(12-6)10(16)9-8(11)5-14(3)13-9/h4-5H,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone?
(3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone has a molecular weight of 330.13 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 671788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).