(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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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
(3,5-Dimethyl-1-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone
CID 832013
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
(3,5-Dimethylpyrazol-1-yl)-(2-methyl-4-nitropyrazol-3-yl)methanone
CID 671872
4-iodo-1-methyl-N'-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-1H-pyrazole-3-carbohydrazide
CID 1221769
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethanone
CID 1509850
2-(4-Iodo-3,5-dimethylpyrazolyl)-1-pyrazolylethan-1-one
CID 1511691
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531231
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757

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).