3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide

C9H15ClN4 — CID 164648737

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)Cn1cc(Cl)c(C)n1
InChIInChI=1S/C9H15ClN4/c1-6-7(10)4-14(13-6)5-9(2,3)8(11)12/h4H,5H2,1-3H3,(H3,11,12)
InChIKeyNKCBZVLDYHDFCV-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.81
Rot. Bonds3

About 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide

3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide (PubChem CID 164648737) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide
PubChem CID164648737
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)Cn1cc(Cl)c(C)n1
InChIInChI=1S/C9H15ClN4/c1-6-7(10)4-14(13-6)5-9(2,3)8(11)12/h4H,5H2,1-3H3,(H3,11,12)
InChIKeyNKCBZVLDYHDFCV-UHFFFAOYSA-N
XLogP1.81
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide (CID 164648737) is 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide is [H]/N=C(\N)C(C)(C)Cn1cc(Cl)c(C)n1.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide?
The InChIKey is NKCBZVLDYHDFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-6-7(10)4-14(13-6)5-9(2,3)8(11)12/h4H,5H2,1-3H3,(H3,11,12).
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide?
3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide has a molecular weight of 214.70 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 164648737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).