4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide

C10H11IN6O2 — CID 1221769

IUPAC4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
SMILESCn1cc(I)c(C(=O)NNC(=O)c2ccnn2C)n1
InChIInChI=1S/C10H11IN6O2/c1-16-5-6(11)8(15-16)10(19)14-13-9(18)7-3-4-12-17(7)2/h3-5H,1-2H3,(H,13,18)(H,14,19)
InChIKeyHACLCBJYFMZKIL-UHFFFAOYSA-N
MW374.14 g/mol
LogP-0.17
Rot. Bonds2

About 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide

4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide (PubChem CID 1221769) has the molecular formula C10H11IN6O2 and a molecular weight of 374.14 g/mol. Its IUPAC name is 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
PubChem CID1221769
Molecular FormulaC10H11IN6O2
Molecular Weight374.14 g/mol
Exact Mass374.00
IUPAC Name4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
SMILESCn1cc(I)c(C(=O)NNC(=O)c2ccnn2C)n1
InChIInChI=1S/C10H11IN6O2/c1-16-5-6(11)8(15-16)10(19)14-13-9(18)7-3-4-12-17(7)2/h3-5H,1-2H3,(H,13,18)(H,14,19)
InChIKeyHACLCBJYFMZKIL-UHFFFAOYSA-N
XLogP-0.17
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.14
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide?
The IUPAC name of 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide (CID 1221769) is 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide is Cn1cc(I)c(C(=O)NNC(=O)c2ccnn2C)n1.
What is the InChIKey of 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide?
The InChIKey is HACLCBJYFMZKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN6O2/c1-16-5-6(11)8(15-16)10(19)14-13-9(18)7-3-4-12-17(7)2/h3-5H,1-2H3,(H,13,18)(H,14,19).
What are the key properties of 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide?
4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide has a molecular weight of 374.14 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 1221769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).