4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide

C9H15IN4 — CID 65252615

IUPAC4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCn1cc(I)cn1
InChIInChI=1S/C9H15IN4/c1-9(2,8(11)12)3-4-14-6-7(10)5-13-14/h5-6H,3-4H2,1-2H3,(H3,11,12)
InChIKeyYPSDBWGXOQLCCI-UHFFFAOYSA-N
MW306.15 g/mol
LogP1.84
Rot. Bonds4

About 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide

4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 65252615) has the molecular formula C9H15IN4 and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide
PubChem CID65252615
Molecular FormulaC9H15IN4
Molecular Weight306.15 g/mol
Exact Mass306.03
IUPAC Name4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCn1cc(I)cn1
InChIInChI=1S/C9H15IN4/c1-9(2,8(11)12)3-4-14-6-7(10)5-13-14/h5-6H,3-4H2,1-2H3,(H3,11,12)
InChIKeyYPSDBWGXOQLCCI-UHFFFAOYSA-N
XLogP1.84
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanethioamide
CID 65248714
2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide
CID 165480993
N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide
CID 106711719
5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine
CID 65255899
2,2-dimethyl-5-pyrazol-1-ylpentanimidamide
CID 65258391
1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine
CID 90003245
2-amino-4-(4-iodopyrazol-1-yl)-2-phenylbutanamide
CID 116694055
2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide
CID 104603232
1-(2-ethylsulfanylethyl)-4-iodopyrazole
CID 115646959
4-iodo-1-pent-3-ynylpyrazole
CID 104743944
6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanenitrile
CID 106710266
3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide
CID 164648737

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide (CID 65252615) is 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCn1cc(I)cn1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is YPSDBWGXOQLCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN4/c1-9(2,8(11)12)3-4-14-6-7(10)5-13-14/h5-6H,3-4H2,1-2H3,(H3,11,12).
What are the key properties of 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide?
4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 306.15 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).